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Advan Pharmachem Co., Ltd.

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Web: http://www.advanpharma.com.cn
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Address: Room 1418 YuAn Mansion, No.738 Dongfang Road, Pu Dong, Shanghai 200122, China
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Profile: Advan Pharmachem Co., Ltd. specializes in offering pharmaceutical ingredients & intermidiates, formulation products and biochemical agent. APIs include acarbose, enalapril maleate, mecobalamine, sulfadoxine, tobramycin sulphate and warfarin sodium. Our pharmacentical formulation biological products are metamizole sodium, loratadine, methoxsalen, metronidazole buccal and phenolphthalein tablets.

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• Adefovir
IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula: C8H12N5O4PMolecular Weight: 273.185741 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-N

• Azasetron
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide | CAS Registry Number: 123040-69-7
Synonyms: Nazasetron, Azasetron [INN], Azasetron (INN), Ambap1302, Azasetron [superceded RN], azasetron, (+-)-isomer, Biomol-NT_000105, C17H20ClN3O3.HCl, C17H20ClN3O3, BPBio1_001397, NCGC00024563-02, LS-172550, LS-172551, TL8000615, D07481, Y 25130, Y-25130, (- )-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, (+-)-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide

Molecular Formula: C17H20ClN3O3Molecular Weight: 349.812000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WUKZPHOXUVCQOR-UHFFFAOYSA-N

• Azasetron hydrochloride
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride | CAS Registry Number: 141922-90-9
Synonyms: azasetron hydrochloride, Serotone, Azasetron, 123040-16-4, Y 25130, C17H20ClN3O3.HCl, Y-25130, 123040-69-7, 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride, SMR000466285, Azasetron HCl, Serotone (TN), Nazasetron hydrochloride, AC1L3GCQ, NPFAPI-08, SureCN442156, MLS000758245, MLS001424223

Molecular Formula: C17H21Cl2N3O3Molecular Weight: 386.272940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N

• Bicalutamide
IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90357-06-5
Synonyms: bicalutamide, Casodex, (R)-Bicalutamide, R-BICALUTAMIDE, Bicalutamide [USAN:BAN:INN], CHEBI:3090, STOCK6S-47735, 1z95, CID56069, DB01128, DB02932, ICI 176334, BRN 5364666, NCGC00167487-01, (2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE, (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide, (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-

Molecular Formula: C18H14F4N2O4SMolecular Weight: 430.373373 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Candesartan
IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid | CAS Registry Number: 139481-59-7
Synonyms: candesartan, Blopress, Blopress (TN), Candesartan [BAN], Candesartan cilexetil, Candesartan [USAN:INN], Candesartan (USAN/INN), CHEBI:3347, C24H20N6O3, CV 11974, CV-11974, CV11974, DB00796, NCGC00167474-01, LS-32740, SL-00802, TL8000897, C07468, D00522, C081643

Molecular Formula: C24H20N6O3Molecular Weight: 440.454000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: HTQMVQVXFRQIKW-UHFFFAOYSA-N

• Cis-2,6-Dimethylmorpholine
IUPAC Name: 2,6-dimethylmorpholine | CAS Registry Number: 6485-55-8
Synonyms: 2,6-Dimethylmorpholine, Morpholine, 2,6-dimethyl-, 2,6-DIMETHYL MORPHOLINE, cis-2,6-Dimethylmorpholine, 2,6-Dimethylmorfolin [Czech], CCRIS 5910, HSDB 4343, 126527_ALDRICH, EINECS 205-509-3, WLN: T6M DOTJ C1 E1, NSC 60704, Morpholine, 2,6-dimethyl-, cis-, NSC60704, BRN 0103036, EINECS 229-353-0, LS-834, 2,6-Dimethyl-2,3,5,6-tetrahydro-4H-1,4-oxazine, ST5214583, 4-27-00-00674 (Beilstein Handbook Reference), 141-91-3

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HNVIQLPOGUDBSU-UHFFFAOYSA-N

• Cyclohexyl 1-chloroethylcarbonate
IUPAC Name: 1-chloroethyl cyclohexyl carbonate | CAS Registry Number: 99464-83-2
Synonyms: 1-Chloroethyl Cyclohexyl Carbonate, 1-chloroethylcyclohexyl carbonate, Carbonic Acid 1-Chloroethyl Cyclohexyl Ester, PubChem16784, ACMC-209scq, SureCN654885, KSC486M7T, AGN-PC-004U78, CTK3I6679, ONZWFHWHTYZZLM-UHFFFAOYSA-, MolPort-003-987-506, ANW-41016, SBB070776, AKOS015840877, AB17043, AG-I-01740, BD23363, RL06129, CYCLOHEXYL 1-CHLOROETHYLCARBONATE, AK-86219

Molecular Formula: C9H15ClO3Molecular Weight: 206.666600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ONZWFHWHTYZZLM-UHFFFAOYSA-N

• D-Phenylalanine
IUPAC Name: (2R)-2-amino-3-phenylpropanoic acid | CAS Registry Number: 673-06-3
Synonyms: D-phenylalanine, Sabiden, phenylalanine, Phenylalanine D-form, Alanine, phenyl-, D-, DL-PHNYLALANINE, Spectrum_001725, Spectrum2_001558, Spectrum4_000865, Spectrum5_001137, CCRIS 6267, D-beta-Phenyl-alpha-alanine, KBioGR_001529, KBioSS_002205, DivK1c_000453, P1751_SIGMA, SPECTRUM1503391, SPBio_001436, NCI-C60195, CHEBI:16998

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: COLNVLDHVKWLRT-MRVPVSSYSA-N

• D-tryptophan methyl ester hydrochloride
IUPAC Name: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride | CAS Registry Number: 14907-27-8
Synonyms: D-Tryptophan methyl ester hydrochloride, H-D-Trp-OMe.HCl, H-D-Trp-OMe HCl, PubChem10879, SureCN475266, KSC174M8R, 364509_ALDRICH, Jsp002336, CTK0H4688, MolPort-003-930-839, ACT03144, ANW-21178, AKOS015924253, AG-C-11860, RL01888, AC-15633, AK-47253, BR-47253, KB-50485, AB1007203

Molecular Formula: C12H15ClN2O2Molecular Weight: 254.712700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: XNFNGGQRDXFYMM-HNCPQSOCSA-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

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
IUPAC Name: (1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine | CAS Registry Number: 76272-56-5

Molecular Formula: C9H18N2Molecular Weight: 154.252620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HTZWHTQVHWHSHN-IUCAKERBSA-N

• Ethyl (R)-4-Cyano-3-Hydroxybutanoate
IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate | CAS Registry Number: 141942-85-0
Synonyms: 479772_ALDRICH, ZINC02562594, ZINC02567777, CID2733879, TL8006150, (R)-4-Cyano-3-hydroxybutyric acid ethyl ester, (R)-(−)-Ethyl 4-cyano-3-hydroxybutyrate, Ethyl (R)-(−)-4-cyano-3-hydroxybutyrate

Molecular Formula: C7H11NO3Molecular Weight: 157.167140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LOQFROBMBSKWQY-ZCFIWIBFSA-N

• Ethyl (S)-(-)-4-Chloro-3-hydroxybutanoate
IUPAC Name: ethyl (3S)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 86728-85-0
Synonyms: 460524_ALDRICH, 94893_FLUKA, ZINC02558232, (−)-Ethyl (S)-4-chloro-3-hydroxybutyrate

Molecular Formula: C6H11ClO3Molecular Weight: 166.602740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZAJNMXDBJKCCAT-YFKPBYRVSA-N

• Ethyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate | CAS Registry Number: 136285-67-1
Synonyms: ETHYL-2-[[(2'-CYANOBIPHENYL-4-YL)METHYL]AMINO]-3-NITROBENZOATE, Benzoic acid,2-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-, ethyl ester, ethyl-2-(((2'-cyanobiphenyl-4-yl)methyl)amino)-3-nitrobenzoate, ACMC-1CELW, AGN-PC-00JQRO, SureCN3976878, Jsp002193, CTK4C0239, MolPort-005-937-289, ANW-59244, ZINC21989282, AKOS015889761, AG-D-74010, AK-41350, KB-166461, FT-0643253, ST51051757, Y6570, I01-3130, Ethyl 2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate

Molecular Formula: C23H19N3O4Molecular Weight: 401.414660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: CHPMKOFPDCKNBG-UHFFFAOYSA-N

• Ethyl-4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate
IUPAC Name: ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate | CAS Registry Number: 144689-93-0
Synonyms: Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate, 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylic acid ethyl ester, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate, Ethyl-4-(1-Hydroxy-1-Methylethyl)- 2-Propyl-Imidazole-5-Carboxylate, PubChem7109, SureCN987234, SureCN6596819, ACMC-1C67Q, KSC498E6H, Jsp002616, CTK3J8263, MolPort-003-986-433, ANW-50511, SBB067042, ZINC21298029, AKOS015856335, AM84409, RP17570, AC-15367, AK-23904

Molecular Formula: C12H20N2O3Molecular Weight: 240.298800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KZBJJAFGNMRRHN-UHFFFAOYSA-N

• Etodolac methyl ester
IUPAC Name: methyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate | CAS Registry Number: 122188-02-7
Synonyms: Etodolac, methylated, Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate, Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-, methyl ester, AC1LB1QO, ACMC-20a66c, SureCN6629123, CTK0H4848, MolPort-000-003-559, 200880-31-5, ANW-58930, SBB066177, AKOS015895577, AC-4237, AK-56747, KB-254960, FT-0642978, E14500, A804854, I06-1863, methyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate

Molecular Formula: C18H23NO3Molecular Weight: 301.380120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CRRWJZHQYUTACF-UHFFFAOYSA-N

• Homo Veratronitrile
IUPAC Name: 2-(3,4-dimethoxyphenyl)acetonitrile | CAS Registry Number: 93-17-4
Synonyms: Homoveratronitrile, Veratryl cyanide, VERATRYLCYANIDE, 3,4-Dimethylbenzyl cyanide, 3,4-Dimethoxybenzyl cyanide, 3,4-Dimethoxyphenylacetonitrile, (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide, Benzeneacetonitrile, 3,4-dimethoxy-, Oprea1_832287, 3,4-Dimethoxybenzeneacetonitrile, WLN: NC1R CO1 DO1, 126349_ALDRICH, IFLab1_000888, Acetonitrile, (3,4-dimethoxyphenyl)-, Acetonitrile, 3,4-(dimethoxyphenyl)-, Acetonitrile, 3,4-dimethoxyphenyl-, NSC 6324, EINECS 202-225-1, NSC6324

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ASLSUMISAQDOOB-UHFFFAOYSA-N

• Ibandronate Sodium
IUPAC Name: sodium hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate hydrate | CAS Registry Number: 138926-19-9
Synonyms: Boniva, Bondenza, Bondronat, Bonviva, Destara, Boniva (TN), IBANDRONATE SODIUM, Ibandronate sodium hydrate, Ibandronate sodium monohydrate, Ibandronate sodium (USAN), Ibandronate sodium [USAN], BM 21.0955Na.H2O, RPR-102289A, CT-064, BM-21.0955 monosodium salt monohydrate, Ro-200-5450, Ibandronic acid monosodium salt monohydrate, R-484, D04486, Sodium trihydrogen (1-hydroxy-3-(methylpentylamino)propylidene)diphosphonate, monohydrate.

Molecular Formula: C9H24NNaO8P2Molecular Weight: 359.226052 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: VBDRTGFACFYFCT-UHFFFAOYSA-M

• Irinotecan
Synonyms: Topotecin, Campto, Camptosar, irinotecan, Irinotecan Hcl, Irinotecan hydrochloride, Camptothecin 11, Camptothecin analog, Ambap2597, CPT 11, Camptothecin 11 hydrochloride, CPT-11, SPECTRUM1505821, NSC616348, DQ-2805, NSC-616348, U 101440E, NCGC00095190-01, NCGC00095190-02, LS-44591

Molecular Formula: C33H39ClN4O6Molecular Weight: 623.138960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GURKHSYORGJETM-WAQYZQTGSA-N

• Irsogladine Maleate
IUPAC Name: (Z)-but-2-enedioic acid; 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine | CAS Registry Number: 84504-69-8
Synonyms: irsogladine maleate, Gaslon, Gaslon N, Dicloguamine maleate, Gaslon N (TN), Irsogladine maleate (JAN), MLS001401459, C9H7Cl2N5.C4H4O4, MN-1695, CPD000471621, SAM001246718, SMR000471621, LS-155294, D01658, 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate, s-Triazine, 2,4-diamino-6-(2,5-dichlorophenyl)-, maleate, 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (Z)-2-butenedioate (1:1), 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine (2Z)-but-2-enedioate, 57381-26-7

Molecular Formula: C13H11Cl2N5O4Molecular Weight: 372.163540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: PJLVTVAIERNDEQ-BTJKTKAUSA-N

• Isobutyl-5-Chloro-2,2-Dimethyl Valerate
IUPAC Name: 2-methylpropyl 5-chloro-2,2-dimethylpentanoate | CAS Registry Number: 109232-37-3
Synonyms: Isobutyl 5-chloro-2,2-dimethylvalerate, isobutyl 5-chloro-2,2-dimethylpentanoate, 5-Chloro-2,2-dimethyl-pentanoic acid isobutyl ester, 2-methylpropyl 5-chloro-2,2-dimethylpentanoate, 5-Chloro-2,2-dimethyl-pentanoicacidisobutylester, Pentanoic acid,5-chloro-2,2-dimethyl-, 2-methylpropyl ester, ACMC-20ac11, Jsp000748, CTK4A6374, MolPort-002-499-760, ANW-66515, SBB070807, ZINC02507097, AKOS015900638, AB13858, AG-D-26025, isobutyl 5-chloro-2,2-dimethyl valerate, AK-41263, H411, KB-52721

Molecular Formula: C11H21ClO2Molecular Weight: 220.736240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KPAZLWVDWUAYII-UHFFFAOYSA-N

• Letrozole
IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile | CAS Registry Number: 112809-51-5
Synonyms: letrozole, Femara, Letrozol, Femera, F?mara, Femara (TN), Letrozole [USAN:INN], Prestwick0_001025, Prestwick1_001025, Prestwick2_001025, Prestwick3_001025, Novartis Brand of Letrozole, Letrozole (JAN/USP/INN), BSPBio_001209, MLS000759455, MLS001424038, SPBio_003070, CGS 20267, CGS-20267, BPBio1_001331

Molecular Formula: C17H11N5Molecular Weight: 285.302740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: HPJKCIUCZWXJDR-UHFFFAOYSA-N

• Levofloxacin Carboxylic Acid
Synonyms: Levofloxacin Q-Acid, Levofloxacin carboxylic acid, (S)-9,10-Difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, AC1LELV0, SureCN2333806, UNII-08GT8FY84E, Levofloxacin q-acid, (-)-, Levofloxacin related compound B, 570877_ALDRICH, CTK0H4797, MolPort-003-937-105, 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, ANW-58925, AKOS016002127, Levofloxacin related compound B [USP], AC-7592, AG-D-07064, AK-56895, Levofloxacin related compound B RS [USP], FT-0642442

Molecular Formula: C13H9F2NO4Molecular Weight: 281.211666 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: NVKWWNNJFKZNJO-YFKPBYRVSA-N

• Loratadine ketone
IUPAC Name: [3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone | CAS Registry Number: 130642-50-1
Synonyms: 119770-60-4, (1-Methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]methanone, Methanone,[3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)-,hydrochloride (1:1), ACMC-20mojs, PubChem20739, SureCN4452360, CTK4B1490, MolPort-005-941-589, AG-D-42929, KB-205227, KB-205246, V1832, A806118, (1-methylpiperidin-4-yl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone, [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]-(1-methyl-4-piperidinyl)methanone, [3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone, {3-[2-(3-CHLOROPHENYL)-ETHYL]-2-PYRIDINYL}-(1-METHYL-4-PIPERIDINYL)-METHANONE, Methanone,[3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)-,monohydrochloride (9CI);[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanonehydrochloride

Molecular Formula: C20H23ClN2OMolecular Weight: 342.862420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YBWTYYOASANXND-UHFFFAOYSA-N

• Methanesulfonamide, N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
IUPAC Name: N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide | CAS Registry Number: 147118-37-4
Synonyms: 4-(4-Fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino) pyrimidin-5-carboxaldehyde, 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl, MolPort-005-943-653, AC-446, ZINC22016632, AKOS015896174, AM84434, RL01858, AK-40695, KB-187063, F0867, FT-0654059, FT-0658211, ST51053193, X6289, I06-1683, I09-0366, 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carbaldehyde, N-(4-(4-Fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide, N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide

Molecular Formula: C16H18FN3O3SMolecular Weight: 351.395823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: WOCOTUDOVSLFOB-UHFFFAOYSA-N

• Methyl 2-fluoro-3-oxovalerate
IUPAC Name: methyl 2-fluoro-3-oxopentanoate | CAS Registry Number: 180287-02-9
Synonyms: METHYL 2-FLUORO-3-OXOPENTANOATE, CTK4D7572, MolPort-004-961-404, ACN-S002073, 2-Fluoro-3-oxopentanoicacidmethylester, AKOS005064031, AG-E-30495, AM62556, 2-Fluoro-3-oxo-pentanoicacidmethyl ester, AK111406, KB-53902, U647, 2-fluoro-3-oxopentanoic acid methyl ester, 2-Fluoro-3-oxo-pentanoic acid methyl ester, FT-0643740, methyl 2-fluoranyl-3-oxidanylidene-pentanoate, Pentanoic acid,2-fluoro-3-oxo-, methyl ester, A812540, I14-39310, 2-Fluoro-3-oxovalericacid methyl ester;Methyl 2-fluoro-3-oxopentanoate;

Molecular Formula: C6H9FO3Molecular Weight: 148.132263 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZHQHSDROMAJDFS-UHFFFAOYSA-N

• Methyl 6-bromo-2-naphthoate
IUPAC Name: methyl 6-bromonaphthalene-2-carboxylate | CAS Registry Number: 33626-98-1
Synonyms: 539406_ALDRICH, ZINC00404006, TL8002534, A3998/0170418

Molecular Formula: C12H9BrO2Molecular Weight: 265.102660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JEUBRLPXJZOGPX-UHFFFAOYSA-N

• Methyl isocyanate
IUPAC Name: methylimino(oxo)methane | CAS Registry Number: 624-83-9
Synonyms: METHYL ISOCYANATE, Methane, isocyanato-, methylisocyanate, Methyl carbonimide, Methylcarbylamine, Methylisocyanaat, Iso-cyanatomethane, Isocyanatomethane, Methyl isocyanat, Metil isocianato, Isocyanate, methyl-, Isocyanic acid, methyl ester, (Methylimino)(oxo)methane, Isocyanate de methyle, METHYL ISOCYANIDE, Methylisokyanat [Czech], Methylisocyanaat [Dutch], Methyl isocyanat [German], RCRA waste no. P064, RCRA waste number P064

Molecular Formula: C2H3NOMolecular Weight: 57.051320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HAMGRBXTJNITHG-UHFFFAOYSA-N

• N-(Triphenylmethyl)-5-(4'-bromomethylbiphenyl-2-yl-)tetrazole
IUPAC Name: 5-[2-[4-(bromomethyl)phenyl]phenyl]-1-trityltetrazole | CAS Registry Number: 124750-51-2
Synonyms: 5-(4'-Bromomethyl-1,1'-biphenyl-2-yl)-1-triphenylmethyl-1H-tetrazole, AG-D-52603, 5-(4'-Bromomethyl-biphenyl-2-yl)-1-, N-(Triphenylmethyl)-5-(4-bromomethylbiphenyl-2-yl)tetrazole, 5-(4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazole, trityl-1H-tetrazole, PubChem9042, SureCN796, ACMC-209zjl, Jsp001625, CTK0H4638, MolPort-003-845-381, ACT01841, ANW-50335, AKOS000278516, AC-1836, AM90281, CL23639, RP17783, AK-23923

Molecular Formula: C33H25BrN4Molecular Weight: 557.482400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZTFVTXDWDFIQEU-UHFFFAOYSA-N

• N-[(1,4-Benzodioxane-2-yl)carboxyl] piperazine hydrochloride
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride | CAS Registry Number: 70918-74-0
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride, n-(1,4-benzodioxan-2-carbonyl)-piperazine hydrochloride, 2-(1-Piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride, (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone hydrochloride, N-(1,4-Benzodioxan-2-Carbonyl)Piperazine Hydrochloride, PubChem14515, ACMC-209ogk, AC1ME5PB, SureCN8335181, KSC498C9R, CTK3J8198, MolPort-000-154-529, BB_SC-2090, ACN-S003873, ANW-35970, SBB003004, AKOS015889671, AC-6854, AG-A-01594, RP01813

Molecular Formula: C13H17ClN2O3Molecular Weight: 284.738680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TUKBWYXLYINULI-UHFFFAOYSA-N

• N-Ethyl-N-3-((3-dimethylamino-1-oxo-2-propenyl)phenyl)acetamide
IUPAC Name: N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide | CAS Registry Number: 96605-66-2
Synonyms: N-[3-(3-DIMETHYLAMINO-1-OXO-2-PROPENYL)PHENYL]-N-ETHYLACETAMIDE, SureCN899889, N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-ethylacetamide, ANW-44780, KB-79167, N-[3-(3-Dimethylamino-1-oxo-2-propenyl) phenyl]-N-ethyl acetamide

Molecular Formula: C15H20N2O2Molecular Weight: 260.331500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UXWJJVRASIHSQS-UHFFFAOYSA-N

• N-Isopropylaniline
IUPAC Name: N-propan-2-ylaniline | CAS Registry Number: 768-52-5
Synonyms: Isopropylaniline, N-ISOPROPYLANILINE, Aniline, N-isopropyl-, N-Phenylisopropylamine, Phenylisopropylamine, N-iso-Propylaniline, Benzenamine, N-(1-methylethyl)-, N-IPA, N-Isopropyl-N-phenylamine, CCRIS 4831, N-isopropyl-1-amino-benzene, HSDB 6133, N-(1-Methylethyl)benzenamine, 124478_ALDRICH, 46030_RIEDEL, EINECS 212-196-7, BRN 2205871, c0655, SBB007921, ZINC02031136

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FRCFWPVMFJMNDP-UHFFFAOYSA-N

• N-Methyl-1-naphthalenemethylamine hydrochloride
IUPAC Name: methyl(naphthalen-1-ylmethyl)azanium | CAS Registry Number: 65473-13-4
Synonyms: ZINC01671536, CID6993899

Molecular Formula: C12H14N+Molecular Weight: 172.246260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: MQRIUFVBEVFILS-UHFFFAOYSA-O

• N-Sulphamyl-3-Chloropropionamidine Hydrochloride
IUPAC Name: 3-chloro-N'-sulfamoylpropanimidamide | CAS Registry Number: 106649-95-0
Synonyms: ST51001065, 3-chloro-N'-sulfamoylpropanimidamide, AC1NWMNZ, PRO033, N-Sulfamoyl-3-chloropropionamidine, 3-Chloro-N-sulfamoylpropanimidamide, AKOS006294949, AK115631, R861, (1Z)-2-amino-4-chloro-1-azabut-1-enesulfonamide

Molecular Formula: C3H8ClN3O2SMolecular Weight: 185.632520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QZFCNUHDVLMXDA-UHFFFAOYSA-N

• Nolatrexed Di Hydrochloride
IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one dihydrochloride | CAS Registry Number: 152946-68-4
Synonyms: Thymitaq, Nolatrexed, Nolatrexed dihydrochloride, AG 337, AG-337, LS-186985, 2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride, 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride, 3,4-Dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)quinazoline dihydrochloride

Molecular Formula: C14H14Cl2N4OSMolecular Weight: 357.258160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: PJKVJJYMWOCLIJ-UHFFFAOYSA-N

• Octahydro-1H-indole-2-carboxylic acid
IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid | CAS Registry Number: 80828-13-3
Synonyms: octahydro-1H-indole-2-carboxylic acid, SBB066619, 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic Acid, 82717-40-6, L-Octahydroindole-2-carboxylicacid, Octahydro-indole-2-carboxylic acid, D-Octahydroindole-2-carboxylic acid, 108507-42-2, PubChem7288, ACMC-209pkh, ACMC-20mbk0, ACMC-20n4kb, ACMC-20n4kc, ACMC-20n4kd, ACMC-20n4ke, AC1MN9PU, SureCN44497, AGN-PC-00KQNN, (2S,3AR,7AS)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID, AC1Q74ED

Molecular Formula: C9H15NO2Molecular Weight: 169.220900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CQYBNXGHMBNGCG-UHFFFAOYSA-N

• Paclitaxel
Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula: C47H51NO14Molecular Weight: 853.906140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Palonosetron Hydrochloride
Synonyms: Aloxi, Palonosetron hydrochloride, Palonosetron Hydrochloride [USAN], CID178148, RS 25259-197, LS-186534, 1H-Benz(de)isoquinolin-1-one, 2-(3S)-1-azabicyclo(2.2.2)oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride, (3aS)-, (3aS)-2,3,3a,4,5,6-Hexahydro-2-((3S)-3-quinuclidinyl)-1H-benz(de)isoquinolin-1-one monohydrochloride

Molecular Formula: C19H25ClN2OMolecular Weight: 332.867600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OLDRWYVIKMSFFB-KPVRICSOSA-N

• Paroxetine HCl
IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine | CAS Registry Number: 61869-08-7
Synonyms: paroxetine, Seroxat, Paxil, Paxil CR, Frosinor, Motivan, Paxetil, Aropax, Casbol, Paroxetine Hcl, PaxPar, [3H]Paroxetine, Paroxetine (TN), (-)-Paroxetine, Paroxetinum [INN-Latin], Paroxetina [INN-Spanish], Spectrum_001752, SpecPlus_000788, Paroxetine (USP/INN), Prestwick3_000851

Molecular Formula: C19H20FNO3Molecular Weight: 329.365403 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N

• Quinolinic Acid
IUPAC Name: pyridine-2,3-dicarboxylic acid | CAS Registry Number: 89-00-9
Synonyms: quinolinic acid, quinolinate, 2,3-pyridinedicarboxylic acid, Pyridine-2,3-dicarboxylic acid, pyridine-2,3-carboxylate, Spectrum_001525, Tocris-0225, Pyridine-2,3-dicarboxylate, pyridine carboxylate, 6c, Spectrum2_000929, Spectrum3_001502, Spectrum4_000336, Spectrum5_001170, 2,3-pyridinedicarboxylate, Lopac-P63204, 3,4-Pyridinedicarboxylic acid, Lopac0_000989, Oprea1_139764, Pyridine-3,4-dicarboxylic acid, BSPBio_003143

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

• R-(r*,S*)]-[[2-Methyl-1-(1-Oxopropoxy)propoxy]-(4-Phenylbutyl)phosphinyl] Acetic Acid, (-)-Cinchonidine (1:1) Salt
IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;2-[[(1R)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic acid | CAS Registry Number: 137590-32-0
Synonyms: (R)-Quinolin-4-yl((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol 2-(((R)-2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetic acid(1:1), MolPort-023-279-024, AKOS015999139, AK-33197

Molecular Formula: C38H51N2O7PMolecular Weight: 678.794502 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: AMCLPZVIVCCLMU-ZBTQCTNHSA-N

• Raltitrexed
IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid | CAS Registry Number: 112887-68-0
Synonyms: Tomudex, 2kce, 2tsr, Tomudex (TN), ICI D1694, ZD1694, ICI-D1694, MLS001424225, Raltitrexed (JAN/USAN/INN), STOCK6S-47020, C21H22N4O6S, 1i00, AIDS106596, ICI-D-1694, AIDS-106596, ZD 1694, ZD-1694, ZN-D1694, CID104758, NSC639186

Molecular Formula: C21H22N4O6SMolecular Weight: 458.487580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N

• Risperidone Amine
IUPAC Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole | CAS Registry Number: 84163-77-9
Synonyms: CID849421, SBB011438, BAS 13549338, FS011319, 6-Fluoro-3-piperidin-4-yl-benzo[d]isoxazole, 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine, 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, AO-638/40907418

Molecular Formula: C12H13FN2OMolecular Weight: 220.242823 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MRMGJMGHPJZSAE-UHFFFAOYSA-N

• Risperidone Chloride HCL
IUPAC Name: 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 63234-80-0
Synonyms: 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2a)pyrimidine-4-one, 3-(2-Chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one, 3-2(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-Pyrido[1,2-a]Pyrimdin-4-one, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyridino(1,2-a)-pyrimidine-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyridino[1,2-a]pyrimidine-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidin-4-one, 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-, 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, 3-(2-CHLOROETHYL)-6,7,8,9-TETRAHYDRO-2-METHYL-, PubChem20773, AC1MC7SG, ACMC-209ne8, SureCN460865, UNII-2089CR1AQN, Risperidone impurity L [EP], RISPERIDONE INTERMEDIATE, Piperidopyrimidinone intermediate

Molecular Formula: C11H15ClN2OMolecular Weight: 226.702600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CMWCQQUYLPYOMY-UHFFFAOYSA-N

• Rosuvastatin Calcium
IUPAC Name: calcium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 147098-20-2
Synonyms: Crestor, Rosuvastatin calcium, Provisacor, Rosuvastatin, Crestor (TN), Rosuvastatin hemicalcium, ZD 4522, calcium salt, Rosuvastatin calcium [USAN], Rosuvastatin calcium (JAN/USAN), ZD 4522, ZD4522, ZD-4522, LS-181805, TL8006179, D01915, S 4522, S-4522, (S-((R*,S*-(E)))- 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), (S-(R*,S*-(E)))-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)

Molecular Formula: C44H54CaF2N6O12S2Molecular Weight: 1001.137366 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 20

InChIKey: LALFOYNTGMUKGG-BGRFNVSISA-L

• Rubitecan
Synonyms: Rubitecan (USAN/INN), D04031

Molecular Formula: C20H15N3O6Molecular Weight: 393.349600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: GXSOIDVPIMWEQT-FQEVSTJZSA-N

• S-[(2-guanidino-4-thiazolyl)methyl]isothioureaDihydrochloride
IUPAC Name: [2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate | CAS Registry Number: 88046-01-9
Synonyms: AC1LYE4J, SureCN10782626, UNII-8535IQ0676, (S)-(2-Guanidino-4-thiazolyl)methylisothiourea Dihydrochloride, [2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate, Carbamimidothioic Acid [2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl Ester Dihydrochloride, 106649-96-1

Molecular Formula: C6H10N6S2Molecular Weight: 230.313800 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: QUBHCMPAOWIZMT-UHFFFAOYSA-N

• S-4-Phenyl-2-oxazolidinone
IUPAC Name: (4S)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 99395-88-7
Synonyms: 376698_ALDRICH, 78875_FLUKA, (S)-()-4-Phenyl-2-oxazolidinone, ZINC00143123, (S)-(+)-4-Phenyl-2-oxazolidinone, TL8006065, A00133, InChI=1/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N


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