China ShengDa Pharmaceutical Company

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Profile: China ShengDa Pharmaceutical Company is an ISO 14001:2004 & ISO 9001:2000 certified company. Our product line includes tannic acid, tretinoin, minoxidil, dipyridamole, telicoplanin, and calcipotriol. We also offer hydroxypropyl methylcellulose, macromolecule, polyacrylamide, and hydroxyethylcellulose.

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• Dapivirine
IUPAC Name: 4-[[4-[3,5-dideuterio-2,4,6-tris(trideuteriomethyl)anilino]pyrimidin-2-yl]amino]benzonitrile

Molecular Formula: C20H19N5Molecular Weight: 340.466140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ILAYIAGXTHKHNT-UXJCIKOESA-N

• DAPIVIRINE;4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE
IUPAC Name: 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile | CAS Registry Number: 244767-67-7
Synonyms: Dapivirine, dapivirinum, UNII-TCN4MG2VXS, TMC120, TMC-120, TMC 120, CHEBI:214423, MolPort-000-003-506, AIDS105293, AIDS-105293, TMC120-R147681, CID214347, ZINC00007761, TMC-120/R-147681, TX-010131, R147681, R 147681, R-147681, 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE, 4-((4-((2,4,6-Trimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile

Molecular Formula: C20H19N5Molecular Weight: 329.398360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ILAYIAGXTHKHNT-UHFFFAOYSA-N

• dapoxetine
IUPAC Name: (1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine | CAS Registry Number: 119356-77-3
Synonyms: Dapoxetine, Dapoxetine [INN], Dapoxetinum [INN-Latin], Dapoxetina [INN-Spanish], LY210448, LY 210448, LS-30482, Benzenemethanamine, N,N-dimethyl-alpha-(2-(1-naphthalenyloxy)ethyl)-, (+)-, 129938-20-1

Molecular Formula: C21H23NOMolecular Weight: 305.413420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USRHYDPUVLEVMC-FQEVSTJZSA-N

• Dapoxetine Hydrochloride
IUPAC Name: (1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine | CAS Registry Number: 129938-20-1
Synonyms: Dapoxetine, Dapoxetine [INN], Dapoxetinum [INN-Latin], Dapoxetina [INN-Spanish], LY210448, LY 210448, LS-30482, Benzenemethanamine, N,N-dimethyl-alpha-(2-(1-naphthalenyloxy)ethyl)-, (+)-, 119356-77-3

Molecular Formula: C21H23NOMolecular Weight: 305.413420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USRHYDPUVLEVMC-FQEVSTJZSA-N

• DAPT; N-[(3,5-DIFLUOROPHENYL)ACETYL]-L-ALANYL-2-PHENYL]GLYCINE -1,1-DIMETHYLETHYL ESTER
IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate | CAS Registry Number: 208255-80-5
Synonyms: dapt, DAPT (GSI-IX), gamma-Secretase Inhibitor IX, DAPT, GSI-IX, InSolution™ gamma-Secretase Inhibitor IX, N-[N-(3,5-Difluorophenacetyl-L-alanyl)]-S-phenylglycine t-Butyl Ester, GSIIX, S2215_Selleck, AC1NSKCB, PubChem22436, GSI IX, GSI-IX, DAPT,GSI-IX, DAPT - GSI-IX, SureCN1360313, cc-201, CHEMBL255682, QCR-29, DAPT-Supplied by Selleck Chemicals, ABP000317

Molecular Formula: C23H26F2N2O4Molecular Weight: 432.460346 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: DWJXYEABWRJFSP-XOBRGWDASA-N

• Daptomycin
Synonyms: DAPTOMYCIN, N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-ox, N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-alpha-asparagine

Molecular Formula: C72H101N17O26Molecular Weight: 1620.670640 [g/mol]
H-Bond Donor: 22H-Bond Acceptor: 29

InChIKey: DOAKLVKFURWEDJ-RWDRXURGSA-N

• Darunavir
IUPAC Name: [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 206361-99-1
Synonyms: Prezista, Darunavirum, 2idw, 2ien, Darunavir [USAN], TMC-114, Darunavirum [INN-Latin], TMC114, 2f8g, 2hs1, 2hs2, Darunavir (USAN/INN), UIC-94017, TMC 114, AIDS073035, UNII-YO603Y8113, 2f80, 2f81, AIDS-073035, CID213039

Molecular Formula: C27H37N3O7SMolecular Weight: 547.663580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: CJBJHOAVZSMMDJ-HEXNFIEUSA-N

• Darunavir Ethanolate
IUPAC Name: [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; ethanol | CAS Registry Number: 635728-49-3
Synonyms: Prezista, Darunavir ethanolate, Prezista (TN), Darunavir ethanolate (JAN), TMC 114, LS-186602, D06478, 635728-39-1, Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester, compd. with ethanol

Molecular Formula: C29H43N3O8SMolecular Weight: 593.732020 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: QWSHKNICRJHQCY-VBTXLZOXSA-N

• Dasatinib
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide hydrate | CAS Registry Number: 863127-77-9
Synonyms: Dasatinib hydrate, Dasatinib hydrate (JAN), D06414

Molecular Formula: C22H28ClN7O3SMolecular Weight: 506.020820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-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

• Deferasirox
IUPAC Name: 4-[(3Z,5E)-3,5-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid | CAS Registry Number: 201530-41-8
Synonyms: Exjade, Deferasirox [INN], Exjade (TN), Deferasiroxum [INN-Latin], Deferasirox [USAN:INN], ICL670A, ICL 670, ICL 670A, ICL670, Deferasirox (JAN/USAN/INN), CHEBI:49005, CID5493381, DB01609, LS-186571, LS-187785, D03669, 4-(3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acid, 4-(3,5-Bis-(hydroxy-phenyl)-1,2,4)triazol-1-yl)-benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid, Benzoic acid, 4-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)-

Molecular Formula: C21H15N3O4Molecular Weight: 373.361500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: FMSOAWSKCWYLBB-VBGLAJCLSA-N

• Degarelix
Synonyms: FE200486, Acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ILys-prolyl-alaninamide, D-Alaninamide, N-acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-

Molecular Formula: C82H103ClN18O16Molecular Weight: 1632.259220 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 18

InChIKey: MEUCPCLKGZSHTA-RHCWOGDZSA-N

• Desloratadine
Synonyms: Clarinex, Neoclarityn, Aerius, Descarboethoxyloratadine, Desloratidine, Denosin, Desalex, Azomyr, Opulis, Allex, Clarinex RediTabs, Descarboethoxyoratidine, Clarinex (TN), Desloratadine [USAN], Desloratadine (USAN/INN), Essex brand of desloratadine, Sch 34117, MLS000559042, MLS000759406, MLS001201801

Molecular Formula: C19H19ClN2Molecular Weight: 310.820560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-N

• Detomidine Hcl
IUPAC Name: 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole hydrochloride | CAS Registry Number: 90038-01-0
Synonyms: Domosedan, Detomidine HCl, DETOMIDINE HYDROCHLORIDE, detomidine monohydrochloride, UNII-95K4LKB6QE, C12H14N2.HCl, MPV-253 AII, Detomidine hydrochloride (USAN), Detomidine hydrochloride [USAN], 76631-46-4 (Parent), CID56031, LS-78523, 4-(2',3'-Dimethylbenzyl)imidazole hydrochloride, D03702, 4-(2,3-Dimethylbenzyl)imidazole monohydrochloride, 4-((2,3-Dimethylphenyl)methyl)-1H-imidazole hydrochloride, 1H-Imidazole, 4-((2,3-dimethylphenyl)methyl)-, monohydrochloride

Molecular Formula: C12H15ClN2Molecular Weight: 222.713900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OIWRDXKNDCJZSM-UHFFFAOYSA-N

• DETOMIDINE HYDROCHLORIDE
IUPAC Name: 1-methyl-4-prop-1-en-2-ylcyclohexene | CAS Registry Number: 9003-73-0
Synonyms: Dipentene, LIMONENE, Cajeputene, p-Mentha-1,8-diene, Cinene, DL-Limonene, Dipenten, Kautschin, Eulimen, Nesol, Cajeputen, Limonen, Cinen, Acintene DP dipentene, Inactive limonene, 138-86-3, Cyclohexene, 1-methyl-4-(1-methylethenyl)-, 1,8-p-Menthadiene, (+/-)-Limonene, 4-Isopropenyl-1-methyl-1-cyclohexene

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N

• Dibekacin
IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol | CAS Registry Number: 34493-98-6
Synonyms: dibekacin, Panamicin, Icacine, Dideoxykanamycin B, Spectrum_001398, Spectrum2_001528, Spectrum3_000960, Spectrum4_001074, Spectrum5_001613, 3',4'-Dideoxykanamycin B, KBioGR_001428, KBioSS_001878, SPBio_001316, CHEBI:37945, KBio2_001878, KBio2_004446, KBio2_007014, KBio3_002060, AIDS070753, AIDS-070753

Molecular Formula: C18H37N5O8Molecular Weight: 451.515080 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 13

InChIKey: JJCQSGDBDPYCEO-XVZSLQNASA-N

• Dibenzo[c,F][1,2]thiazepine, 3,11-Dichloro-6,11-Dihydro-6-Methyl-,5,5-Dioxide
IUPAC Name: 3,11-dichloro-6-methyl-11H-benzo[c][2,1]benzothiazepine 5,5-dioxide | CAS Registry Number: 26638-66-4
Synonyms: 3,11-dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide, AG-E-84112, 3,11-Dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine, 3,11-dichloro-6-methyl-11H-benzo[c][2,1]benzothiazepine 5,5-dioxide, 3,11-Dichloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepine 5,5-dioxide, 3,11-Dichloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c.f][1,2]thiazepine, Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-,5,5-dioxide, AGN-PC-00OFCT, SureCN6939270, CTK4F8275, MolPort-003-986-688, EINECS 247-866-8, AC-323, ANW-49836, SBB070969, AKOS015889330, RL02899, AK-25683, BR-25683, TL8002122

Molecular Formula: C14H11Cl2NO2SMolecular Weight: 328.213640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FHICZIHQHGRZLE-UHFFFAOYSA-N

• DICLOFENSINE
IUPAC Name: 4-(3,4-dichlorophenyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline | CAS Registry Number: 67165-56-4
Synonyms: Diclofensine, Diclofensinum, Diclofensina, Moxifensin, Diclofensinum [INN-Latin], Diclofensina [INN-Spanish], UNII-09HKW863J6, CHEBI:148588, 79234-32-5 (hydrochloride), CID68871, Ro 8-4650, ( -)-4-(3,4-Dichlorphenyl)-1,2,3,4-tetrahydro-7-methoxy-2-methylisochinolin, 4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline, 4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline(Diclofensive), Isoquinoline, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-7-methoxy-2-methyl-

Molecular Formula: C17H17Cl2NOMolecular Weight: 322.228980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZJDCGVDEEHWEIG-UHFFFAOYSA-N

• diethyl 3,3-diphenylallylphosphonate
IUPAC Name: (3-diethoxyphosphoryl-1-phenylprop-1-enyl)benzene | CAS Registry Number: 91861-56-2
Synonyms: SCHEMBL8183308, MIFYYHFERGLOOB-UHFFFAOYSA-N, Diethyl 3,3-Diphenylallylphosphonate, AKOS027338716, Diethyl (3,3-diphenylallyl)phosphonate, 3,3-Diphenylallylphosphonic acid=diethyl, AK341032

Molecular Formula: C19H23O3PMolecular Weight: 330.364 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MIFYYHFERGLOOB-UHFFFAOYSA-N

• Diethyl 4-toluenesulfonyloxymethylphosphonate
IUPAC Name: diethoxyphosphorylmethyl 4-methylbenzenesulfonate | CAS Registry Number: 31618-90-3
Synonyms: ZINC04352618, Diethyl (tosyloxy)methylphosphonate, BBV-001976, CID4193599, TL8002421

Molecular Formula: C12H19O6PSMolecular Weight: 322.314421 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: UOEFFQWLRUBDME-UHFFFAOYSA-N

• DIETHYL-3-BROMOPROPYLPHOSPHONATE
IUPAC Name: 1-bromo-3-diethoxyphosphorylpropane | CAS Registry Number: 1186-10-3
Synonyms: 542032_ALDRICH, Diethyl(3-bromopropyl)phosphonate, MolPort-003-846-661, NSC138345, CID283500, ZINC01723485

Molecular Formula: C7H16BrO3PMolecular Weight: 259.077901 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N

• Diethylstilbestrol
IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | CAS Registry Number: 56-53-1
Synonyms: diethylstilbestrol, Stilbestrol, Agostilben, Stilbetin, Vagestrol, Stilboestroform, Menostilbeen, Oestrogenine, Oestromenin, Oestromensyl, Oestromienin, Stilbestrone, Stilboefral, Stilboestrol, Stilbofolin, Synthoestrin, Synthofolin, Antigestil, Comestrol, Distilbene

Molecular Formula: C18H20O2Molecular Weight: 268.350200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N

• Dmxaa ?????
IUPAC Name: 2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid

Molecular Formula: C17H14O4Molecular Weight: 282.290660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XGOYIMQSIKSOBS-UHFFFAOYSA-N

• Doxapram HCL
IUPAC Name: 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one hydrochloride | CAS Registry Number: 113-07-5
Synonyms: Dopram, Stimulexin, Doxapram hydrochloride, Doxapram hydrochloride hydrate, MLS001424142, Doxapram hydrochloride anhydrous, AHR 619, AHR-619, Doxapram hydrochloride monohydrate, C24H30N2O2, Doxapram hydrochloride [USAN:JAN], EINECS 204-022-3, NSC170958, CPD000469229, SAM001246792, SMR000469229, LS-138812, 2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, monohydrochloride, 3,3-Diphenyl-1-ethyl-4-(2-morpholinoethyl)-2-pyrrolidinone hydrochloride, 1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone hydrochloride hydrate

Molecular Formula: C24H31ClN2O2Molecular Weight: 414.968140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MBGXILHMHYLZJT-UHFFFAOYSA-N

• Doxorubicin Hydrochloride
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,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: 25316-40-9
Synonyms: Adriamycin, Adriacin, Doxil, Rubex, Adriamycin (TN), Adriacin (TN), Prestwick_188, Doxil (TN), Rubex (TN), ADRIAMYCIN, HYDROCHLORIDE, MLS000028393, MLS000049969, MLS000049970, MLS000049971, MLS000070047, MLS000392861, MLS000392871, MLS000392881, MLS000392891, MLS000392901

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

InChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-N

• Droxidopa
IUPAC Name: (2R,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid | CAS Registry Number: 23651-95-8
Synonyms: droxidopa, DOPS, Dops (TN), Droxidopa (JAN/INN), CID443940, threo-3,4-DIHYDROXY PHENYL SERINE, D01277

Molecular Formula: C9H11NO5Molecular Weight: 213.187340 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: QXWYKJLNLSIPIN-SFYZADRCSA-N

• DY131
IUPAC Name: N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide | CAS Registry Number: 95167-41-2
Synonyms: Probes2_000175, ZINC00356680, CID5410903, Benzoic acid, p-hydroxy-, [p-(diethylamino)benzylidene]hydrazide (7CI), benzoic acid, 4-hydroxy-, [(1Z)-[4-(diethylamino)phenyl]methylene]hydrazide, Benzoic acid, 4-hydroxy-, [[4-(diethylamino)phenyl]methylene]hydrazide (9CI)

Molecular Formula: C18H21N3O2Molecular Weight: 311.378240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WLKOCYWYAWBGKY-UYRXBGFRSA-N

• E3,Z8,Z11-Tetradecatriene acetate
IUPAC Name: tetradeca-1,3,5-trienyl acetate | CAS Registry Number: 163041-94-9
Synonyms: Acetic acid tetradeca-3,8,11-trienyl ester, (3E,8Z,11Z)-TETRADECATRIENYL ACETATE

Molecular Formula: C16H26O2Molecular Weight: 250.376440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DMPBOULTBKYSQE-UHFFFAOYSA-N

• Echinocandin B
Synonyms: AKOS015899653, AC-6111, I14-11713

Molecular Formula: C34H51N7O15Molecular Weight: 797.806640 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 16

InChIKey: BLKJKIJFNJAQIZ-UHFFFAOYSA-N

• Efavirenz
IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one | CAS Registry Number: 154598-52-4
Synonyms: efavirenz, Sustiva, Stocrin, 1ikv, 1ikw, Strocin (TM), Sustiva (TM), Sustiva (TN), efavirenz, (S)-isomer, Efavirenz (JAN/INN), C14H9ClF3NO2, DMP-266, HSDB 7163, MLS000759465, MLS001424087, DMP 266, Met-SDF-1.beta. & Efavirenz, AIDS032934, AIDS106821, AIDS-032934

Molecular Formula: C14H9ClF3NO2Molecular Weight: 315.674970 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XPOQHMRABVBWPR-ZDUSSCGKSA-N

• Elesclomol
IUPAC Name: 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide | CAS Registry Number: 488832-69-5
Synonyms: UNII-6UK191M53P, NSC174939, STA 4783, STA-4783, CID300471, NCI60_001429, N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)propanedihydrazide, Propanedioic acid, bis[2-methyl-2-(phenylthioxomethyl)hydrazide]

Molecular Formula: C19H20N4O2S2Molecular Weight: 400.517700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BKJIXTWSNXCKJH-UHFFFAOYSA-N

• Eltrombopag
IUPAC Name: 3-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid | CAS Registry Number: 496775-61-2
Synonyms: Promacta, Revolade, UNII-S56D65XJ9G, Eltrombopag [INN], SB 497115, 3'-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid, SB-497115-GR, EN002876, SB497115, [1,1'-Biphenyl]-3-carboxylic acid, 3'-[(2Z)-[1-(3,4-dime, PubChem20546, thylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy- (9CI), (1,1'-Biphenyl)-3-carboxylic acid, 3'-((2Z)-(1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)hydrazino)-2'-hydroxy-, (E)-3\'-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2\'-hydroxybiphenyl-3-carboxylic acid, S56D65XJ9G, BCPP000243, ABP000381, AKOS015920246, BCP9000641, DB06210

Molecular Formula: C25H22N4O4Molecular Weight: 442.466580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: TYEXNVNUZXJNBN-YYADALCUSA-N

• Emtricitabine
IUPAC Name: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 143491-57-0
Synonyms: Emtriva, Coviracil, Racivir, Truvada, Mixture Name, dOTFC, Emtriva (TN), (-)-FTC, 2-FTC, (-)-.beta.-L-FTC, BW524W91, C8H10FN3O3S, DRG-0208, Emtricitabine (JAN/USAN/INN), HSDB 7337, 2'-Deoxy-5-fluoro-3'-thiacytidine, BW 524W91, BW-524W91, FTC, (-)-, AIDS004782

Molecular Formula: C8H10FN3O3SMolecular Weight: 247.246703 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XQSPYNMVSIKCOC-NTSWFWBYSA-N

• Entecavir
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one | CAS Registry Number: 142217-69-4
Synonyms: Baraclude, Entecavir [INN], Entecavir [USAN:INN], HSDB 7334, BMS 200475, CID170343, SQ 34676, NCGC00164563-01, LS-186647, LS-187009, LS-187784, 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-

Molecular Formula: C12H15N5O3Molecular Weight: 277.279200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: QDGZDCVAUDNJFG-PPSBICQBSA-N

• Entinostat
IUPAC Name: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate | CAS Registry Number: 209783-80-2
Synonyms: ms-275, nchembio.275-comp4, MS 275, Histone Deacetylase Inhibitor I, SNDX 275, SNDX-275, CID4261, MS-27-275, CHEBI:136237, MS 27-275, IN1470, NSC706995, ZINC01488870, NSC-706995, NCGC00165833-01, NCGC00165833-02, NCI60_038022, LS-185285, EC-000.2117, C118739

Molecular Formula: C21H20N4O3Molecular Weight: 376.408500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: INVTYAOGFAGBOE-UHFFFAOYSA-N

• Enzastaurin
IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione | CAS Registry Number: 170364-57-5
Synonyms: UNII-UC96G28EQF, CHEBI:183217, CID176167, LY317615, 1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-, 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione

Molecular Formula: C32H29N5O2Molecular Weight: 515.604960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AXRCEOKUDYDWLF-UHFFFAOYSA-N

• Epalrestat
IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | CAS Registry Number: 82159-09-9
Synonyms: epalrestat, Kinedak, Epalrestat [INN], Epalrestatum [Latin], Kinedak (TN), Epalrestat (JAN/INN), Ono 2235, Ono-2235, ONO 2, ONO-2, MLS000806985, C15H13NO3S2, SBB015450, NCGC00164613-01, SMR000414799, LS-151103, D01688, 3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-

Molecular Formula: C15H13NO3S2Molecular Weight: 319.398620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-N

• Epirubicin
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 | CAS Registry Number: 56420-45-2
Synonyms: Epiadriamycin, 4'-Epiadriamycin, Epidoxorubicin, Ridorubicin, Ellence, 4'-epidoxorubicin, Farmorubicin, Pidorubicin, 4-Epidoxorubicin, Epi-DX, Epirubicine [French], Epirubicinum [Latin], Epirubicina [Spanish], 4'-epi-Doxorubicin, Epirubicine [INN-French], Epirubicinum [INN-Latin], Epirubicin [INN:BAN], Epirubicina [INN-Spanish], Pidorubicine [INN-French], Pidorubicinum [INN-Latin]

Molecular Formula: C27H29NO11Molecular Weight: 543.519260 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: AOJJSUZBOXZQNB-VTZDEGQISA-N

• Epothilone D
IUPAC Name: (3S,7S,9Z,14S,15S,16R)-3,15-dihydroxy-2,2,10,14,16-pentamethyl-7-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-oxacyclohexadec-9-ene-1,5-dione | CAS Registry Number: 189453-10-9
Synonyms: Desoxyepothilone b, dEpoB, (-)-Desoxyepothilone B, 12,13-Desoxy-Epothilone B, Z-12,13-desoxyepothilone B, KOS-862, CHEBI:253013, Biologically synthesized Epothilone D, CID447865, LMPK04000001, NSC703147, NSC721085, ZINC03951739, NSC-703147, C12039, R-1492, EPD, 3,15-dihydroxy-2,2,10,14,16-pentamethyl-7-[1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-(E)-1-ethenyl]-6-oxa-9-cyclohexadecene-1,5-dione

Molecular Formula: C27H41NO5SMolecular Weight: 491.683140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XOZIUKBZLSUILX-GIQCAXHBSA-N

• EPPS
IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid | CAS Registry Number: 16052-06-5
Synonyms: Hepps, E0276_SIGMA, E1894_SIGMA, E9502_SIGMA, 54465_FLUKA, 54465_SIGMA, EINECS 240-198-8, CID85255, BRN 3957385, 4-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acid, LS-113260, LT00138110, 4-(2-Hydroxyethyl)-1-piperazinepropanesulphonic acid, 1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-, 4-(2-Hydroxyethyl)-1-piperazinepropane sulfonic acid, 4-(2-Hydroxyethyl)piperazine-1-propanesulfonic acid, N-2-Hydroxyethylpiperazine-N-3-propanesulfonic acid, N-2-Hydroxyethylpiperazine-N'- 3-propanesulfonic acid, N-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid), 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID

Molecular Formula: C9H20N2O4SMolecular Weight: 252.331100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-N

• Erlotinib
IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | CAS Registry Number: 183321-74-6
Synonyms: Tarceva, erlotinib HCl, Erlotinib [INN], Erlotinib(Tarceva), nchembio866-comp3, OSI-774, STOCK6S-52681, CID176870, DB00530, NCGC00164574-01, BCB03_000783, CP 358774, CP-358774, LS-184395, CP 358,774, CP-358,774, K00241, C400278, N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-

Molecular Formula: C22H23N3O4Molecular Weight: 393.435720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

• Erlotinib Hcl
IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol | CAS Registry Number: 183321-84-8
Synonyms: 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-hydroxyethoxy)quinazoline, Erlotinib metabolite, O-Didesmethylerlotinib, AGN-PC-00S2OQ, CTK4D8462, ZINC22057163, AKOS015907687, AG-E-33052, KB-188465, FT-0658083, ST51054786, A812765, I14-2708, 2-[[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)-6-quinazolinyl]oxy]ethanol, 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol, 2-[4-[(3-ethynylphenyl)amino]-7-(2-hydroxyethyloxy)quinazolin-6-yl]oxyethanol, Ethanol,2-[[4-[(3-ethynylphenyl)amino]-6-(2-hydroxyethoxy)-7-quinazolinyl]oxy]-, Ethanol,2,2'-[[4-[(3-ethynylphenyl)amino]-6,7-quinazolinediyl]bis(oxy)]bis- (9CI);CP373943;2,2'-[{4-[(3-Ethynylphenyl)amino]-6,7-quinazolinediyl}bis(oxy)]diethanol;

Molecular Formula: C20H19N3O4Molecular Weight: 365.382560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: YWSAEKIQJPQSDJ-UHFFFAOYSA-N

• Erlotinib Hydrochloride
IUPAC Name: N-(4-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride | CAS Registry Number: 183319-69-9
Synonyms: Tarceva, Erlotinib hydrochloride, Tarceva (TN), Erlotinib hydrochloride (JAN/USAN), CID11954378, D04023

Molecular Formula: C22H24ClN3O4Molecular Weight: 429.896660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: OMDIKDVVYHAXGO-UHFFFAOYSA-N

• ert-butyl 4-(2-(trifluoromethyl)phenyl)piperazine-1-carboxylatet
IUPAC Name: tert-butyl 4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxylate | CAS Registry Number: 1121596-52-8
Synonyms: DA-15445, tert-butyl 4-(2-(trifluoromethyl)phenyl)piperazine-1-carboxylate

Molecular Formula: C16H21F3N2O2Molecular Weight: 330.345350 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RTYQPVAFIARCKN-UHFFFAOYSA-N

• Ertapenem Sodium
IUPAC Name: sodium 3-[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidine-2-carbonyl]amino]benzoate | CAS Registry Number: 153773-82-1
Synonyms: Invanz, Ertapenem sodium, Invanz (TN), Ertapenem sodium (USAN), MK 826, MK-826, MK-0826, ZD-4433, LS-181819, D04049, L 749345, L 749345, MK 826, L-749345, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R-(3(3S*,5S*),4alpha,5beta,6beta(R*)))-, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-monosodium salt,(4R-(3(3S*,5S*), 4alpha,5beta,6beta(R*)))

Molecular Formula: C22H24N3NaO7SMolecular Weight: 497.496630 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: ZXNAQFZBWUNWJM-HRXMHBOMSA-M

• Estramustine Sodium Phosphate
IUPAC Name: disodium [(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate | CAS Registry Number: 52205-73-9
Synonyms: Emcyt, Emcyt (TN), Ambap4001, Estramustine phosphate sodium, Estramustine sodium phosphate, Estramustine phosphate disodium, CHEBI:31562, Estramustine phosphate sodium (USAN), C13031, D02398, Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), disodium salt, disodium (17beta)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1(10),2,4-trien-17-yl phosphate

Molecular Formula: C23H30Cl2NNa2O6PMolecular Weight: 564.346701 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: IIUMCNJTGSMNRO-VVSKJQCTSA-L

• Ethyl 2-Amino-6-Bromo-4-(1-Cyano-2-Ethoxy-2-Oxoethyl)-4H-Chromene-3-Carboxylate
IUPAC Name: ethyl (4R)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate | CAS Registry Number: 65673-63-4
Synonyms: Maybridge1_000786, ZINC01036313, CID6976314

Molecular Formula: C17H17BrN2O5Molecular Weight: 409.231280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: SXJDCULZDFWMJC-AAEUAGOBSA-N

• Ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
IUPAC Name: ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate | CAS Registry Number: 238749-50-3
Synonyms: AGN-PC-00L8PN, SureCN1244590, AKOS015936250, QC-1864, ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate, 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, 2-bromo-, ethyl ester

Molecular Formula: C9H8BrNO2SMolecular Weight: 274.134320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KXGSKTSSCQBDOA-UHFFFAOYSA-N

• Ethyl 3-(trimethylsilyl)propiolate
IUPAC Name: ethyl 3-trimethylsilylprop-2-ynoate | CAS Registry Number: 16205-84-8
Synonyms: Ethyl 3-(trimethylsilyl)-2-propynoate, Ethyl 3-(trimethylsilyl)propynoate, ACMC-1BVR4, AC1LC2W2, AC1Q63MU, 329452_ALDRICH, CTK4D1071, MolPort-003-930-158, ethyl 3-trimethylsilylprop-2-ynoate, AR-1I8681, SBB008832, AKOS015911739, AG-B-64093, AK-60541, KB-252861, 2-Propynoic acid, 3-(trimethylsilyl)-, ethyl ester, 2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester, I14-37774

Molecular Formula: C8H14O2SiMolecular Weight: 170.281060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QRBKPHYAIRLCLK-UHFFFAOYSA-N

• Ethyl 3-methoxy-4-((1-methylpiperidin-4-yl)methoxy)-6-nitrobenzoate
IUPAC Name: ethyl 5-methoxy-4-[(1-methylpiperidin-4-yl)methoxy]-2-nitrobenzoate | CAS Registry Number: 264208-63-1
Synonyms: ETHYL 3-METHOXY-4-((1-METHYLPIPERIDIN-4-YL)METHOXY)-6-NITROBENZOATE, Ethyl 5-methoxy-4-((1-methylpiperidin-4-yl)methoxy)-2-nitrobenzoate, ethyl 5-methoxy-4-[[1-methylpiperidin-4-yl]methoxy]-2-nitrobenzoate, SCHEMBL1614754, YKLVXLQPUAUIGF-UHFFFAOYSA-N, AKOS027337644, ZINC116671831, ACM264208631, AK339373, HE330021, ethyl 3-methoxy-4-(1-methylpiperidin-4-ylmethoxy)-6-nitrobenzoate, ethyl 3-methoxy4-(1-methylpiperidin-4-ylmethoxy)-6-nitrobenzoate

Molecular Formula: C17H24N2O6Molecular Weight: 352.387 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: YKLVXLQPUAUIGF-UHFFFAOYSA-N


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