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KangRui Bio-Tech Co., Ltd.

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Profile: KangRui Bio-Tech Co., Ltd. offers pharmaceutical materials & plant extracts. Our products include 4-amino-3-phenylbutyric acid hydrochloride, cyproterone acetate, halobetasol propionate, betamethasone, betamethasone 17-valerate, and diflorasone. We also offer beclometasone dipropionate, flumethasone, estradiol, flugestone, desoximetasone, fluticasone propionate, and megestrol acetate.

1 to 50 of 109 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 >> Next 50 Results
• Agomelatine
IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 138112-76-2
Synonyms: Valdoxan, Thymanax, Agomelatine [INN], Valdoxan (TN), Agomelatine (INN), AGO-178, AGO178, C15H17NO2, AGO 178, CID82148, PDSP1_001305, PDSP1_001784, PDSP2_001289, PDSP2_001767, LS-9830, S20098, N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide, N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide, S 20098, S-20098

Molecular Formula: C15H17NO2Molecular Weight: 243.300980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N

• Beclomethasone Dipropionate
IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 5534-09-8
Synonyms: Beclovent, Vanceril, Becloturmant, Becloforte, Beclorhinol, Sanasthmax, Sanasthmyl, Aldecina, Aldecine, Beclacin, Beclomet, Beconase, Becotide, Benconase, Entyderma, Korbutone, Propaderm, Respocort, Rhinosol, Turbinal

Molecular Formula: C28H37ClO7Molecular Weight: 521.042180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: KUVIULQEHSCUHY-XYWKZLDCSA-N

• Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-
IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline | CAS Registry Number: 641571-11-1
Synonyms: 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, SBB070660, 1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole, AG-G-40451, 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZENAMINE, AGN-PC-00JLUU, SureCN589390, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, BEN745, CTK2F2674, MolPort-008-155-922, ANW-54160, AKOS015842181, MB10071, RP28481, AK-38398, BR-38398, KB-27154, AB1004626, A8805

Molecular Formula: C11H10F3N3Molecular Weight: 241.212410 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WWTGXYAJVXKEKL-UHFFFAOYSA-N

• Benzoic acid, 4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester
IUPAC Name: ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate | CAS Registry Number: 179688-26-7
Synonyms: Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate, 4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester, SureCN264575, Ethyl 4,5-bis(2-methoxyethoxy)-2-nitro-benzoate, CTK4D7356, MolPort-009-199-506, ANW-59584, SBB063310, ZINC38343034, AKOS015888609, AG-E-29984, QC-1092, AK-47956, KB-253189, FT-0656275, A812476, I01-1235, 4,5-Bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester;, Benzoic acid,4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester

Molecular Formula: C15H21NO8Molecular Weight: 343.329140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: VOHOFZNVWZWVMA-UHFFFAOYSA-N

• Benzoic Acid, 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-Pentamethyl-2-Naphthalenyl)carbonyl]-, Methyl Ester
IUPAC Name: methyl 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate | CAS Registry Number: 153559-45-6
Synonyms: Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate, Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl] benzoate, AGN-PC-00EWPV, SureCN3982018, CTK8D3812, ACT03910, ZINC34648208, AKOS015896396, QC-1728, Desmethylene Oxo-bexarotene Methyl Ester, AK116554, FT-0652504, ST51053326, M-1113, A809438, I06-1993, 4-[oxo-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid methyl ester, Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate, methyl 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate, methyl 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]benzoate

Molecular Formula: C24H28O3Molecular Weight: 364.477320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYVLPJYIGJZAKF-UHFFFAOYSA-N

• Benzoic Acid, 4-[1-Hydroxy-1-(5,6,7,8-Tetrahydro-3,5,5,8,8-Pentamethyl-2-Naphthalenyl)ethyl]-
IUPAC Name: 4-[1-hydroxy-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid | CAS Registry Number: 852524-20-0
Synonyms: Benzoic acid, 4-[1-hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]-, 4-[1-Hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]benzoic acid, SureCN12181027, MolPort-020-001-746, ACT03909, AKOS015896296, AK116553, KB-188567, FT-0655789, ST51051294, A841274, I06-2049, 4-[1-hydroxy-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid, 4-[1-oxidanyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid, 4-(1-Hydroxy-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl)benzoic acid

Molecular Formula: C24H30O3Molecular Weight: 366.493200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QSJOZWPYZHBYNR-UHFFFAOYSA-N

• Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
IUPAC Name: 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid | CAS Registry Number: 137281-39-1
Synonyms: 4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid, 4-[2-(2-Amino-4,7-Dihydro-4-Oxo-1H-Pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid, 4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoic acid, 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid, 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid, SureCN207072, SureCN2260428, SureCN9046718, SureCN9046720, Jsp002251, CTK7E0994, CTK8B4306, MolPort-005-942-504, ANW-20226, ANW-44651, SBB066593, AKOS015897612, AG-A-70023, LS41213, RL01644

Molecular Formula: C15H14N4O3Molecular Weight: 298.296660 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: AIZPFZIKHIJCQX-UHFFFAOYSA-N

• Benzoic Acid, 4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]amino]-
IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid | CAS Registry Number: 641569-94-0
Synonyms: 4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid, SBB063316, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzoicacid, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid, 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid, Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, 4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid, SureCN533540, BEN740, CTK8C3847, MolPort-008-155-923, ANW-70664, AKOS015888621, AK-93453, KB-86531, AB1004625, A8804, AM20090654, FT-0655847, I01-1255

Molecular Formula: C17H14N4O2Molecular Weight: 306.318660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LDLZPHLSVKGFSC-UHFFFAOYSA-N

• Betamethasone
IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 378-44-9
Synonyms: betamethasone, Rinderon, Celestone, Betadexamethasone, Betafluorene, Betamamallet, Betamethazone, Flubenisolone, Betacorlan, Betacortril, Betapredol, Betasolon, Betnelan, Betsolan, Celestene, Hormezon, Methazon, Valisone, Visubeta, Bedifos

Molecular Formula: C22H29FO5Molecular Weight: 392.461063 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N

• Betamethasone Dipropionate
IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 5593-20-4
Synonyms: Diprolene, Alphatrex, Diproderm, Diprosis, Diprosone, Lotrisone, Maxivate, Psorion, Beloderm, Rinderon DP, Mixture Name, Diprolene AF, Rinderon-DP, Diprolene (TN), Betasone (Veterinary), Rinderon-DP (TN), nchembio747-comp12, BETAMETHASONE DIPROPIONATE, betamethasone propionate, Betamethasone 17,21-dipropionate

Molecular Formula: C28H37FO7Molecular Weight: 504.587583 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: CIWBQSYVNNPZIQ-XYWKZLDCSA-N

• Betamethasone Sodium Phosphate
IUPAC Name: disodium [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate | CAS Registry Number: 151-73-5
Synonyms: Bentelan, Betnesol, Celestone, Linolosal, Linosal, Celestone Soluspan, Celestone Phosphate, Celestone (TN), Betasone (Veterinary), beta-Methasone phosphate, Betamethasone sodium phosphate, Betamethasone phosphate, Betamethazone disodium phosphate, Celestone Phosphate Injection, Betamethasone 21-phosphate, Betavet Soluspan (Veterinary), beta-Methasone sodium phosphate, betamethason sodium phosphate, Betamethasone disodium phosphate, Betamethasone 21-disodium phosphate

Molecular Formula: C22H28FNa2O8PMolecular Weight: 516.404624 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: PLCQGRYPOISRTQ-LWCNAHDDSA-L

• Betamethasone Valerate
IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate | CAS Registry Number: 2152-44-5
Synonyms: beta-Val, Betnovateat, Celestoderm, Betatrex, Betnovate, Valisone, Luxiq, Betaderm, Dermabet, Valnac, Mixture Name, Rinderon-V, Otomax (Veterinary), Flubenisolonvalerate, Topagen (Veterinary), BETAMETHASONE VALERATE, Gentocin (Veterinary), Rinderon-V (TN), Betamethasone 17-valerate, Luxiq (TN)

Molecular Formula: C27H37FO6Molecular Weight: 476.577483 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: SNHRLVCMMWUAJD-SUYDQAKGSA-N

• Bexarotene
IUPAC Name: 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid | CAS Registry Number: 153559-49-0
Synonyms: Targretin, Targretyn, Targrexin, Bexarotene [USAN], LG69 compound, Targretin (TN), 3-methyl-TTNEB, Elan brand of bexarotene, Bexarotene (USAN/INN), Ligand brand of bexarotene, LGD 1069, CHEBI:50859, HSDB 7453, LGD1069, C24H28O2, CID82146, LG 1069, LGD-1069, LG1069, LG100069

Molecular Formula: C24H28O2Molecular Weight: 348.477920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-N

• Blonanserin
IUPAC Name: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine | CAS Registry Number: 132810-10-7
Synonyms: Lonasen, Blonanserin [INN], Blonanserin (JAN/INN), AD 5423, AD-5423, CID125564, PDSP1_000720, PDSP2_000710, LS-57714, D01176, 2-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine, Cycloocta(b)pyridine, 2-(4-ethyl-1-piperazinyl)-4-(1-fluorophenyl)-5,6,7,8,9,10-hexahydro-, Cycloocta(b)pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-, 2-(4-Ethyl-1-piperazinyl)-4-(p-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine

Molecular Formula: C23H30FN3Molecular Weight: 367.502803 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XVGOZDAJGBALKS-UHFFFAOYSA-N

• Cisatracurium Besilate (Ninbex)
IUPAC Name: benzenesulfonate; benzenesulfonate; 5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 96946-42-8
Synonyms: Nimbex, Cisatracurium, Cisatracurium besylate, Nimbium, Cisatracurium besilate, Benzenesulfonate, Nimbex Forte, Nimbex (TN), Cisatracurium besilate (INN), Cisatracurium besylate (USAN), NIMBEX PRESERVATIVE FREE, Cisatracurium besylate [USAN:BAN], 51W89, Atracurium besylate 1R-cis,1R'-cis form, C53H72N2O12.2C6H5O3S, DB00565, (1R-cis,1'R-cis)-Atracurium besylate, NCGC00017127-01, CAS-64228-81-5, LS-178337

Molecular Formula: C65H82N2O18S2Molecular Weight: 1243.479180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 18

InChIKey: XXZSQOVSEBAPGS-DONVQRBFSA-L

• CMC_8101
IUPAC Name: (2-hexadecanoyloxy-3-hydroxypropyl) hexadecanoate | CAS Registry Number: 30334-71-5
Synonyms: 1,2-Dipalmitin, (+)-D-Dipalmitin, DL-1,2-Dipalmitin, DL -1,2-Dipalmitin, Palmitin, 1,2-di-, 1,2-Dipalmitoyl-rac-glycerol, (+/-)-1,2-Dipalmitin, 1,2-dihexadecanoyl-rac-glycerol, 1,2-Dipalmitoyl-sn-glycerol, D2135_SIGMA, rac-Glycerol 1,2-dipalmitate, 1,2-Dihexadecanoyl-sn-glycerol, 42554_FLUKA, MolPort-003-932-567, CID99931, CMC_6810, EINECS 250-131-4, EINECS 254-870-3, rac-GLYCEROL-1,2-DIPALMITATE, LMGL02010001

Molecular Formula: C35H68O5Molecular Weight: 568.911420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JEJLGIQLPYYGEE-UHFFFAOYSA-N

• Cyproterone Acetate
Synonyms: Androcur, CYPROTERONE ACETATE, Cyproteron acetate, Cyproteron-R acetate, Cyproteroneacetate, Cyprosterone acetate, Cyproterone 17-O-acetate, Cyproterone 17alpha-acetate, Cyproterone 17.alpha.-acetate, CCRIS 4385, Lopac0_000301, SH 714, C24H29ClO4, Cyproterone acetate [USAN:JAN], HSDB 3592, MLS000859908, MLS001055462, MLS001066353, C3412_SIGMA, NSC81430

Molecular Formula: C24H29ClO4Molecular Weight: 416.937660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UWFYSQMTEOIJJG-FDTZYFLXSA-N

• Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-dibenzoate (9CI)
IUPAC Name: [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate | CAS Registry Number: 134790-39-9
Synonyms: RP17935, 2'-Deoxy-2',2'-difluoro-3',5'-bis-O-benzoylcytidine

Molecular Formula: C23H19F2N3O6Molecular Weight: 471.410266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: ZPUUYUUQQGBHBU-JNEOBVTJSA-N

• Decitabine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula: C8H12N4O4Molecular Weight: 228.205280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Diflorasone
IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 2557-49-5
Synonyms: diflorasone, Maxiflor, Florone, Diflorasona, Diflorasonum, Psorcon, Diflorasonum [INN-Latin], Diflorasona [INN-Spanish], Diflorasone [INN:BAN], UNII-T2DHJ9645W, EINECS 219-875-7, C22H28F2O5, CID71415, ZINC05752191, LS-174106, U 34865, 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

Molecular Formula: C22H28F2O5Molecular Weight: 410.451526 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: WXURHACBFYSXBI-XHIJKXOTSA-N

• Epirubicin HCL
IUPAC Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 56390-09-1
Synonyms: Ellence, Pharmorubicin, Farmorubicin, Epirubicin hydrochloride, Epidoxorubicin, Farmorubicina, Pidorubicin, 4'-epi-Adriamycin, Ellence (TN), 4'-epi-Doxorubicin, Ambap5427, E-ADM, Epidoxorubicin hydrochloride, 4'-epi-DX, CCRIS 4477, 4'-Epidoxorubicin hydrochloride, 4'-epi-Adriamycin hydrochloride, MLS001401404, IMI-28, EINECS 260-145-2

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-FGBSZODSSA-N

• Eplerenone
Synonyms: Epoxymexrenone, Inspra, Selara, Inspra (TN), Eplerenone (JAN/USAN/INN), CHEBI:31547, CGP-30083, NCGC00159559-01, NCGC00159559-02, SC-66110, TL8000270, C12512, D01115, 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone

Molecular Formula: C24H30O6Molecular Weight: 414.491400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JUKPWJGBANNWMW-VWBFHTRKSA-N

• Estriol
IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol | CAS Registry Number: 50-27-1
Synonyms: estriol, Oestriol, Estratriol, Tridestrin, Ovestrion, Ovestin, Trihydroxyestrin, Aacifemine, Oestratriol, Oestriolum, Destriol, Overstin, Orestin, Theelol, Thulol, Hemostyptanon, Ortho-Gynest, Orgastyptin, Stiptanon, Synapause

Molecular Formula: C18H24O3Molecular Weight: 288.381360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PROQIPRRNZUXQM-ZXXIGWHRSA-N

• Ethanone, 1-cyclopropyl-2-(2-fluorophenyl)-
IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)ethanone | CAS Registry Number: 150322-73-9
Synonyms: Cyclopropyl 2-fluorobenzyl ketone, 1-cyclopropyl-2-(2-fluorophenyl)ethanone, Cyclopropyl2-fluorobenzylketone, 1-Cyclopropyl-2-(2-fluoro-phenyl)-ethanone, AG-D-96933, Ethanone,1-cyclopropyl-2-(2-fluorophenyl)-, prasugrl I, PubChem19831, AGN-PC-00OREF, ACMC-209d4d, SureCN243780, KSC526M0D, ETH030, Cyclopropyl 2-fluorobenzylketone, CTK4C6601, MolPort-003-986-456, Cyclopropyl-2-fluoro benzyl ketone, ACT06895, ANW-21275, FC1323

Molecular Formula: C11H11FOMolecular Weight: 178.202843 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DWBGTJUQWKWYGB-UHFFFAOYSA-N

• Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-
IUPAC Name: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone | CAS Registry Number: 204205-33-4
Synonyms: 2-bromo-2-(2-fluorophenyl)-1-cyclopropylethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone, PubChem19832, ETH032, CTK1A1324, ANW-46083, FC1324, SBB070887, AKOS015854297, AG-E-49682, QC-8934, RP29149, AK-44978, EN000409, AB1004592, KB-168705, A4444, AM20090723, FT-0649302, I14-6513

Molecular Formula: C11H10BrFOMolecular Weight: 257.098903 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LMCZCCDXOZGIND-UHFFFAOYSA-N

• Ethyl 3,4-Bis(2-Methoxyethoxy)benzoate
IUPAC Name: ethyl 3,4-bis(2-methoxyethoxy)benzoate | CAS Registry Number: 183322-16-9
Synonyms: ethyl 3,4-bis(2-methoxyethoxy)benzoate, 3,4-Bis(2-methoxyethoxy)benzoic acid ethyl ester, AG-E-33054, ZINC04324147, AC1MDC6N, SureCN263238, KSC496Q7J, CTK3J6874, MolPort-002-899-657, ANW-54624, CCG-41047, SBB063312, AKOS000282910, AM84636, AK-47966, KB-77061, AB1006719, FT-0656916, A812767, 3,4-Bis(2-methoxyethoxy)benzoic acid ethyl ester;

Molecular Formula: C15H22O6Molecular Weight: 298.331580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VGFZRAVMWXHEJB-UHFFFAOYSA-N

• Ethyl 4,5-Bis(2-Methoxyethoxy)-2-Aminobenzoate
IUPAC Name: ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate | CAS Registry Number: 179688-27-8
Synonyms: Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate, Ethyl 4,5-bis(2-methoxyethoxy)-2-aminobenzoate, AG-E-29985, 4,5-BIS(2-METHOXYETHOXY)ANTHRANILIC ACID ETHYL ESTER, Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, SureCN264389, AGN-PC-007A3B, CTK4D7357, MolPort-009-199-507, ANW-52960, SBB063311, ZINC44460330, AKOS015888610, LS41053, QC-1093, AK-94215, AM20090626, FT-0083539, FT-0651481, ethyl 2-azanyl-4,5-bis(2-methoxyethoxy)benzoate

Molecular Formula: C15H23NO6Molecular Weight: 313.346220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YZOWMIHUDJVXBH-UHFFFAOYSA-N

• Ethyl Bromodifluoroacetate
IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate | CAS Registry Number: 667-27-6
Synonyms: Ethyl bromodifluoroacetate, Ethylbromodifluoroacetate, 295795_ALDRICH, 16900_FLUKA, EINECS 211-567-0, BTB 12440, ZINC01845846, Acetic acid, bromodifluoro-, ethyl ester, TL8004719

Molecular Formula: C4H5BrF2O2Molecular Weight: 202.982106 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IRSJDVYTJUCXRV-UHFFFAOYSA-N

• Fulvestrant
IUPAC Name: (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 129453-61-8
Synonyms: Faslodex, Fulvestrant [USAN], Faslodex (TN), nchembio.76-comp5, nchembio775-comp4, Ici 182780, Fulvestrant (JAN/USAN/INN), Faslodex(ICI 182,780), C32H47F5O3S, ICI 182,780, ICI-182780, NSC719276, DB00947, ZD 182780, ZD-9238, ZM 182780, ZM-182780, ICI 182,789, LS-64781, ZD-182780

Molecular Formula: C32H47F5O3SMolecular Weight: 606.770796 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: VWUXBMIQPBEWFH-WCCTWKNTSA-N

• Gemcitabine
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 95058-81-4
Synonyms: gemcitabine, dFdC, Gemzar, nchembio.90-comp2, DDFC, Gemzar (hydrochloride), Gemcitabine stereoisomer, Gemcitabine (USAN/INN), 2',2'-Difluorodeoxycytidine, Gemcitabinum [INN-Latin], Gemcitabina [INN-Spanish], Inno-D07001, 2',2'-DiF-dC, Gemcitabine [USAN:BAN:INN], CCRIS 8984, 2'-Deoxy-2',2'-difluorocytidine, NChemBio.2007.10-comp25, AIDS001419, AIDS-001419, CID60750

Molecular Formula: C9H11F2N3O4Molecular Weight: 263.198146 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: SDUQYLNIPVEERB-QPPQHZFASA-N

• Gemcitabine HCL
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 122111-03-9
Synonyms: Gemzar, Gemzar (TN), GEMCITABINE HYDROCHLORIDE, Ambap6387, LY188011 hydrochloride, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Gemcitabine hydrochloride [USAN], Gemcitabine hydrochloride (JAN/USAN), 2',2'-Difluorodeoxycytidine monohydrochloride, CPD000469146, LS-59069, SAM001246550, TL8000589, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, D01155, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), 103882-84-4, 95058-81-4

Molecular Formula: C9H12ClF2N3O4Molecular Weight: 299.659086 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Glufosfamide
IUPAC Name: (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 132682-98-5
Synonyms: glc-IPM, Glucosylifostamide mustard, Glucosyl-ifosfamide mustard, UNII-1W5N8SZD9A, HSDB 7024, CID123628, LS-71462, D 19575, D-19575, beta-D-Glucopyranose, 1-(N,N'-bis(2-chloroethyl)phosphorodiamidate), beta-D-Glucopyranose 1-(N,N'-bis(2-chloroethyl)phosphorodiamidate

Molecular Formula: C10H21Cl2N2O7PMolecular Weight: 383.162701 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: PSVUJBVBCOISSP-SPFKKGSWSA-N

• Halobetasol Propionate
IUPAC Name: [(6S,9R,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 66852-54-8
Synonyms: Halobetasol, Ultravate, Ulobetasol cream, Ulobetasol propionate, HALOBETASOL PROPIONATE, Halobetasol propionate [USAN], C25H31ClF2O5, 6-fluoroclobetasol 17-propionate, BMY 30056, CGP 14458, CGP-14458, 6 alpha-fluoroclobetasol 17-propionate, CGP 14 458, DB00596, NCGC00167451-01, LS-118431, 21-Chloro-6alpha,9-difluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate, Pregna-1,4-diene-3,20-dione, 21-chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (6alpha,11beta,16beta)-, [(6S,9R,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, Pregna-1,4-diene-3,20-dione, 21-chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-,(6-alpha,11-beta,16-beta)-

Molecular Formula: C25H31ClF2O5Molecular Weight: 484.960446 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: BDSYKGHYMJNPAB-YKQIDFLYSA-N

• Ifosfamide
IUPAC Name: N,2-bis(2-chloroethyl)-1-oxo-6-oxa-2-aza-1$l^{5}-phosphacyclohexan-1-amine | CAS Registry Number: 3778-73-2
Synonyms: ifosfamide, Isophosphamide, Iphosphamide, Isofosfamide, Iphosphamid, Ifosfamid, I-Phosphamide, Isoendoxan, Mitoxana, Naxamide, Cyfos, Holoxan, Ifex, Ifsofamide, Iso-Endoxan, Ifosamide, Holoxan 1000, Iso Endoxan, Iphosphamid(e), Ifex/Mesnex Kit

Molecular Formula: C7H15Cl2N2O2PMolecular Weight: 261.085961 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HOMGKSMUEGBAAB-UHFFFAOYSA-N

• Iloperidone
IUPAC Name: 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone | CAS Registry Number: 133454-47-4
Synonyms: Zomaril, Fanapt, Fanapta, Fiapta, Iloperidone (USAN/INN), Iloperidone [USAN:INN], CID71360, C24H27FN2O4, ILO-522, CHEBI:113949, HP-873, HP 873, PDSP1_000514, PDSP1_000515, PDSP2_000512, PDSP2_000513, LS-172870, D02666, L001176, Ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)-

Molecular Formula: C24H27FN2O4Molecular Weight: 426.480583 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XMXHEBAFVSFQEX-UHFFFAOYSA-N

• Irinotecan Free Base
Synonyms: irinotecan, Camptosar, Irinotecanum, (+)-Irinotecan, Irinotecan hydrochloride, Irinotecanum [INN-Latin], Irinotecan [INN:BAN], IRINOTECAN, CPT-11, BSPBio_002346, Bio-0054, CPT-11, HSDB 7607, 1u65, CHEBI:105985, AIDS108177, C33H38N4O6, AIDS-108177, CID60838, NSC728073, DB00762

Molecular Formula: C33H38N4O6Molecular Weight: 586.678020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-N

• L-glutamic acid diethyl ester hydrochloride
IUPAC Name: diethyl (2S)-2-aminopentanedioate hydrochloride | CAS Registry Number: 1118-89-4
Synonyms: Diethyl L-glutamate, Diethyl glutamate hydrochloride, C9H17NO4.HCl, Diethyl L-glutamate hydrochloride, 309346_ALDRICH, Diethyl L-glutaminate hydrochloride, EINECS 214-270-4, NSC 12960, NSC 17007, Glutamic acid diethyl ester hydrochloride, L-Glutamic acid, diethyl ester, hydrochloride, LS-71836, Glutamic acid, diethyl ester, hydrochloride, L-, L-Glutamic acid diethyl ester hydrochloride, 16450-41-2

Molecular Formula: C9H18ClNO4Molecular Weight: 239.696520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WSEQLMQNPBNMSL-FJXQXJEOSA-N

• L-Leucovorin Calcium
IUPAC Name: calcium (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate | CAS Registry Number: 80433-71-2
Synonyms: Isovorin, Isovorin (TN), Calcium levofolinate, Levofolinate calcium, Calcium levofolinate (INN), Levofolinate calcium (JAN), LEVOLEUCOVORIN CALCIUM, Levoleucovorin calcium (USAN), D04715

Molecular Formula: C20H21CaN7O7Molecular Weight: 511.501440 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: KVUAALJSMIVURS-QNTKWALQSA-L

• Lapatinib Ditosylate
IUPAC Name: benzenesulfonic acid; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; hydrate | CAS Registry Number: 388082-78-8
Synonyms: Tykerb, Lapatinib Ditosylate [USAN], GW572016F, CID208909, LS-186595, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl), bis(4-methylbenzenesulfonate), monohydrate, N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrate

Molecular Formula: C41H40ClFN4O11S3Molecular Weight: 915.422903 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 16

InChIKey: CJCNEWWARIPAEG-UHFFFAOYSA-N

• Mesna
IUPAC Name: sodium 2-sulfanylethanesulfonate | CAS Registry Number: 19767-45-4
Synonyms: mesna, Uromitexan, Mesnex, Mistabronco, Mistabron, Mucofluid, Mitexan, Mesnum, coenzyme M, Ifex/Mesnex Kit, Uromitexan (TN), Mesnum [INN-Latin], Mesnex (TN), Prestwick_1005, Ifosfamide/Mesna Kit, Mesna [USAN:BAN:INN], Spectrum2_000752, Spectrum3_001483, Spectrum4_000041, Spectrum5_001174

Molecular Formula: C2H5NaO3S2Molecular Weight: 164.179070 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

• Methanesulphonyl Chloride
IUPAC Name: methanesulfonyl chloride | CAS Registry Number: 124-63-0
Synonyms: Mesyl chloride, Methanesulfonyl chloride, Chloro methyl sulfone, Methyl sulfochloride, Chloromethyl sulfone, Methanesulfuryl chloride, Methyl sulfonyl chloride, Methanesulphonyl chloride, Methanesulfonic acid chloride, METHYLSULFONYL CHLORIDE, HSDB 5605, 471259_ALDRICH, EINECS 204-706-1, NSC 15039, UN3246, NSC15039, AI3-52234, LS-90360, ST5214471, InChI=1/CH3ClO2S/c1-5(2,3)4/h1H

Molecular Formula: CH3ClO2SMolecular Weight: 114.551320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QARBMVPHQWIHKH-UHFFFAOYSA-N

• Methyl (2R,3S)-N-Boc-3-Phenylisoserine
IUPAC Name: methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate | CAS Registry Number: 124605-42-1
Synonyms: ACMC-209w9x, AGN-PC-001TOB, SureCN12069800, (2R,3S)-N-tert-butoxycarbonyl-3-phenyl-isoserine methyl ester, Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, methyl ester, (aR,bS)-, AKOS015889287, ST51051647, A805263, I01-1936, Methyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropionate, 2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid methyl ester, methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate, methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoate

Molecular Formula: C15H21NO5Molecular Weight: 295.330940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NCALQERIBRYGOK-UHFFFAOYSA-N

• Mifamurtide
IUPAC Name: [(2R)-1-[2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] hexadecanoate | CAS Registry Number: 83461-56-7
Synonyms: Muramyl tripeptide, Mtp-PE, AIDS000184, CGP 19835A, AIDS-000184, L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-.alpha.-glutaminyl-N-[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-, N-Acetyl-muramyl-L-alanyl-D-isoglutaminyl-L-alanine-(1'-2'-dipalmitoyl-sn-glycero-3'-hydroxy-phosphoryl-oxy)-ethanolamine

Molecular Formula: C59H109N6O19PMolecular Weight: 1237.499321 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 19

InChIKey: JMUHBNWAORSSBD-SHXJQDTLSA-N

• Mono-methyl terephthalate
IUPAC Name: 4-methoxycarbonylbenzoic acid | CAS Registry Number: 1679-64-7
Synonyms: Methyl terephthalate, Homoterephthalic acid, Monomethyl terephthalate, Methyl hydrogen terephthalate, 4-Methoxycarbonylbenzoic acid, p-Carboxy-alpha-toluic acid, 4-(Carbomethoxy)benzoic acid, 328383_ALDRICH, ARONIS013882, 4-(Methoxycarbonyl)benzoic acid, Terephthalic acid, monomethyl ester, HYDROGEN METHYL TEREPHTHALATE, 86448_FLUKA, HSDB 5849, Acetic acid, (4-carboxyphenyl)-, Terephthalic acid monomethyl ester, AIDS169331, AIDS-169331, CID15513, 1,4-Benzenedicarboxylic acid, monomethyl ester

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: REIDAMBAPLIATC-UHFFFAOYSA-N

• Nilotinib
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | CAS Registry Number: 641571-10-0
Synonyms: AMN107, AMN 107, CHEBI:52172, AMN-107, TL8004531, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide, 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI), NIL

Molecular Formula: C28H22F3N7OMolecular Weight: 529.515790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

• Oxaliplatin
IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine; oxalate; platinum(2+) | CAS Registry Number: 61825-94-3
Synonyms: oxaliplatin, oxalate, Oxalatoplatin, Oxalatoplatinum, Eloxatin, Eloxatin (TN), platinum(+2) cation, Oxaliplatinum [Latin], Oxaloplatine [French], Oxaliplatino [Spanish], Oxaloplatino [Spanish], Oxaliplatin (JAN/USAN/INN), Oxaliplatin [USAN:INN:BAN], (1R,2R)-cyclohexane-1,2-diamine, DB00526, D01790

Molecular Formula: C8H14N2O4PtMolecular Weight: 397.285760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

• Paliperidone
IUPAC Name: (9R)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 144598-75-4
Synonyms: Invega, Invega (TN), Paliperidone (JAN/USAN/INN), CID9802545, D05339

Molecular Formula: C23H27FN4O3Molecular Weight: 426.483883 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: PMXMIIMHBWHSKN-LJQANCHMSA-N

• Pemetrexed Disodium
IUPAC Name: (2S)-2-[[4-[2-[2-amino-4-oxo-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid | CAS Registry Number: 150399-23-8
Synonyms: AIDS096718, AIDS-096718, NCGC00164627-01, LY231514, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrimidin-5-yl)ethyl]benzoyl]-glutamic acid

Molecular Formula: C27H27N5O6Molecular Weight: 517.533180 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: RXMOUCBSRHJOCG-FQEVSTJZSA-N

• Pixantrone
IUPAC Name: 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione | CAS Registry Number: 144510-96-3
Synonyms: 6,9-Aea-biqdo, UNII-F5SXN2KNMR, Pixantrone (USAN/INN), CHEBI:380181, BBR 2778, CID134019, D05522, 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione, 5,8-Bis((2-aminoethyl)amino)-2-aza-anthracene-9,10-dione, 6,9-Bis((2-aminoethyl)amino)benz(g)isoquinoline-5,10-dione, 6,9-Bis((2-aminoethyl)amino)benzo(g)isoquinoline-5,10-dione, 6,9-Bis-(2-amino-ethylamino)-benzo[g]isoquinoline-5,10-dione, Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-

Molecular Formula: C17H19N5O2Molecular Weight: 325.365060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: PEZPMAYDXJQYRV-UHFFFAOYSA-N

• Pixantrone Maleate
IUPAC Name: 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione; (E)-but-2-enedioic acid | CAS Registry Number: 144675-97-8
Synonyms: Pixantrone, Pixantrone maleate, BBR 2778, CID6449873, Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2-butenedioate (1:2)

Molecular Formula: C25H27N5O10Molecular Weight: 557.509380 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 15

InChIKey: SVAGFBGXEWPNJC-LVEZLNDCSA-N


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