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Shanghai Yingxuan Chempharm Co., Ltd.

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Address: Shanghai Jiao Tong University(SJTU) Jin Qiao Science Park,No.2588,Jinhai Road,Pudong New District, Shanghai, Pudong 201209, China
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Profile: Shanghai Yingxuan Chempharm Co., Ltd. is a manufacturer of glyco-compounds, heterocyclic compounds, amino acids, peptides, alkaloids, and various drug intermediates.

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• Cidofovir hydrate (1:2)
IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid dihydrate | CAS Registry Number: 149394-66-1
Synonyms: Cidofovir, Vistide, Cidofovir hydrate, Cidofovir [USAN:INN], UNII-JIL713Q00N, C8H14N3O6P, DRG-0145, CID60933, GS-0504, LS-173351, 1-((S)-3-Hydroxy-2-(phosphonomethoxy)propyl)cytosine dihydrate, Phosphonic acid, ((2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, dihydrate, (S)-, (((S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)phosphonic acid, dihydrate, ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrate, CDV

Molecular Formula: C8H18N3O8PMolecular Weight: 315.217581 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: FPKARFMSZDBYQF-ILKKLZGPSA-N

• Cilomelast
IUPAC Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid | CAS Registry Number: 153259-65-5
Synonyms: Cilomilast, Ariflo, 1xlx, 1xom, Ariflo (TN), Cilomilast [USAN:INN], Cilomilast (JAN/USAN/INN), PDSP1_001287, PDSP2_001271, SB207499, DB03849, SB 207499, NCGC00167520-01, LS-56637, SB-207499, D01704, cis-4-Cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexanecarboxylic acid, cis-4-(3-(Cyclopentyloxy)-4-methoxyphenyl)-4-cyanocyclohexane-1-carboxylic acid, CIS-4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]CYCLOHEXANECARBOXYLIC ACID, Cyclohexanecarboxylic acid, 4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-, cis-

Molecular Formula: C20H25NO4Molecular Weight: 343.416800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CFBUZOUXXHZCFB-UHFFFAOYSA-N

• Cleviprex
IUPAC Name: 5-O-(butanoyloxymethyl) 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 167221-71-8
Synonyms: Clevidipine, Clevidipine butyrate, Clevelox, rac-Clevidipine, H 324/38, Cleviprex (TN), Clevidipine, Cleviprex, Clevidipine (USAN/INN), Clevidipine [USAN:INN], SureCN115522, AC1L4BI0, DSSTox_CID_31450, DSSTox_RID_97336, DSSTox_GSID_57661, cc-161, CHEMBL1237132, CTK4D2578, MolPort-020-006-047, AMX10159, Tox21_113923

Molecular Formula: C21H23Cl2NO6Molecular Weight: 456.316420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: KPBZROQVTHLCDU-UHFFFAOYSA-N

• Colchicine
IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide | CAS Registry Number: 64-86-8
Synonyms: colchicine, Colchicina, Colchicin, Colsaloid, Condylon, Colchineos, Colchisol, Colcin, Colchicinum, spindle poison, ColBenemid, 7alphaH-Colchicine, Colstat, Col-Probenecid, Mixture Name, Colchicine [JAN], Proben-C, Colchicin [German], (S)-colchicine, Colchicine (TN)

Molecular Formula: C22H25NO6Molecular Weight: 399.437000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

• Corosolic Acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 4547-24-4
Synonyms: Corosolic acid, 2-alpha-Hydroxyursolic acid, LS-193275, Urs-12-en-28-oic acid, 2,3-dihydroxy-, (2alpha,3beta)-

Molecular Formula: C30H48O4Molecular Weight: 472.699720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: HFGSQOYIOKBQOW-MMNUXRFXSA-N

• CUDC-101
IUPAC Name: 7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide | CAS Registry Number: 1012054-59-9
Synonyms: CUDC101, CUDC-101, CUDC 101, 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide, 7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide, S1194_Selleck, PubChem19149, UNII-1A7Y9MP123, CHEMBL598797, QCR-203, CHEBI:703809, ABP000148, BCP9000556, RL00075, CUDC-101-Supplied by Selleck Chemicals, NCGC00263177-01, HY-10223, FT-0665231, X7526, CUDC-101|1012054-59-9|CUDC 101, 7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide

Molecular Formula: C24H26N4O4Molecular Weight: 434.487640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: PLIVFNIUGLLCEK-UHFFFAOYSA-N

• Cycloastragenol
Synonyms: Cyclogalegigenin, Astramembrangenin, 9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, (3beta,6alpha,16beta,24R)-

Molecular Formula: C30H50O5Molecular Weight: 490.715000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: WENNXORDXYGDTP-IEZYWYHUSA-N

• cyclobuxophylline K

Molecular Formula: C26H41NOMolecular Weight: 383.620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HHRXHLXZXPRKOE-YJLHYQISSA-N

• cyclobuxophyllinine M
Synonyms: Buxenone

Molecular Formula: C25H39NOMolecular Weight: 369.593 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YYXCNUVITXXGGX-PYVOAAPPSA-N

• Cyclopamine
IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol | CAS Registry Number: 4449-51-8
Synonyms: CYCLOPAMINE, 11-Deoxojervine, nchembio753-comp1, nchembio.142-comp3, Jervine, 11-deoxo-, BSPBio_001032, C4116_SIGMA, CHEBI:522489, CID442972, NSC734950, NCGC00163474-03, C10798, (3beta,22S,23R)-17,23-epoxyveratraman-3-ol, BRD-K58938839-001-03-8, Veratraman-3-ol, 17,23-epoxy-, (3-beta,23-beta)-, Spiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)pyridin)-3-o l, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octa deca hydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-, Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)- (9CI)

Molecular Formula: C27H41NO2Molecular Weight: 411.619940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QASFUMOKHFSJGL-LAFRSMQTSA-N

• Cyclopent[b]indole-3-acetic acid, 4-[(4-chlorophenyl)methyl]-7-fluoro-1,2,3,4-tetrahydro-5-(methylsulfonyl)-, (3R)-
IUPAC Name: 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid | CAS Registry Number: 571170-77-9
Synonyms: Laropiprant, MK 0524, MK-0524, UNII-G7N11T8O78, Laropiprant (INN/USAN), SureCN991107, cc-711, CHEMBL426559, CTK8F0660, CHEBI:467314, MolPort-021-804-972, BCPP000161, G7N11T8O78, MK-0524B, ABP000435, DCL000565, DNC007125, Laropiprant,CAS:571170-77-9, AM81247, BCP9000944

Molecular Formula: C21H19ClFNO4SMolecular Weight: 435.896263 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NXFFJDQHYLNEJK-CYBMUJFWSA-N

• Cyclovirobuxine
Synonyms: Cyclovirobuxine D, Cyclovirobuxine-D, Ambap6281, NSC91722

Molecular Formula: C26H46N2OMolecular Weight: 402.656240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GMNAPBAUIVITMI-ABNIRSKTSA-N

• cyclovirobuxine A (CAS: 808-94-6)
• cyclovirobuxine C
Synonyms: Cyclovirobuxine C, AC1L9DRT, C10801

Molecular Formula: C27H48N2OMolecular Weight: 416.682820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IDOHCEDWHOEHNL-ZUDQDPCPSA-N

• CYCLOVIROBUXINE:9,19-CYCLOPREGNANE-3,20-DIAMINE,N,N',4,4,14-PENTAMETHYL-,(3,5,20S)-
Synonyms: cycloprotobuxine-D

Molecular Formula: C26H46N2Molecular Weight: 386.668 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AXGWYABSYNCIMX-KYDTXRPFSA-N

• D-Bicuculline
IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one | CAS Registry Number: 485-49-4
Synonyms: bicuculline, Bicculine, d-Bicuculline, Bicucullin, Bicuculline (+), ()-Bicuculline, Prestwick_96, (+)-Bicuculline, Prestwick0_000589, Prestwick1_000589, Prestwick2_000589, Prestwick3_000589, Biomol-NT_000252, Lopac0_000234, BSPBio_000438, MLS002153892, DivK1c_000609, SPBio_002657, BPBio1_000482, BPBio1_000794

Molecular Formula: C20H17NO6Molecular Weight: 367.352080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N

• D-Tetrahydropalmatine
IUPAC Name: (13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline | CAS Registry Number: 3520-14-7
Synonyms: corydalis B, (+)-Corydalis B, (R)-Tetrahydropalmatine, (+)-Tetrahydropalmatine, AC1LJ6RP, SureCN2742488, (+)-(R)-Tetrahydropalmatine, CHEMBL2334889, STOCK1N-14407, (+)-Tetrahydropalmatine Alkaloid, MolPort-001-728-103, ZINC19535046, (+)-2,3,9,10-Tetramethoxyberbine, MCULE-1328768112, 2,3,9,10-Tetramethoxy-13a|A-berbine, Y0073, I14-18854, (13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline, (13aR)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine

Molecular Formula: C21H25NO4Molecular Weight: 355.427500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AEQDJSLRWYMAQI-QGZVFWFLSA-N

• Dalcetrapib
IUPAC Name: S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate | CAS Registry Number: 211513-37-0
Synonyms: JTT-705, JTT 705, RO-4607381, AC1OCFK8, UNII-3D050LIQ3H, CHEMBL313006, CHEBI:240637, RG-1658, S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate, JTT705, Propanethioic acid, 2-methyl-, S-[2-[[[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino]phenyl] ester, CID6918540, PubChem22426, Dalcetrapib (USAN/INN), cc-294, MolPort-020-008-066, BCPP000268, DCL000513, Dalcetrapib pound JTT-705 pound(c), AKOS015966940

Molecular Formula: C23H35NO2SMolecular Weight: 389.594500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YZQLWPMZQVHJED-UHFFFAOYSA-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

• Daunomycin Hydrochloride
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 23541-50-6
Synonyms: Cerubidine, Daunoblastin, Daunoblastina, Rubomycin, Ondena, Daunomycin HCL, Cerubidine (TN), Daunomycin chlorohydrate, Daunomycin hydrochloride, Rubidomycin hydrochloride, WP900 hydrochloride, Daunomycin, hydrochloride, DAUNORUBICIN HCL, Ambap1316, RP 13057 hydrochloride, DAUNORUBICIN HYDROCHLORIDE, CCRIS 915, (−)-Daunorubicin, MLS000069508, W4013_SIGMA

Molecular Formula: C27H30ClNO10Molecular Weight: 563.980800 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: GUGHGUXZJWAIAS-QQYBVWGSSA-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

• DESMETHYL LACOSAMIDE
IUPAC Name: (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide | CAS Registry Number: 175481-38-6
Synonyms: SureCN47275, CHEMBL293954, CTK0E3906, AG-E-25951, FT-0666138, Propanamide, 2-(acetylamino)-3-hydroxy-N-(phenylmethyl)-, (R)-

Molecular Formula: C12H16N2O3Molecular Weight: 236.267040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: XRKSCJLQKGLSKU-LLVKDONJSA-N

• Dienogestrel
IUPAC Name: 2-(17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile | CAS Registry Number: 65928-58-7
Synonyms: CTK8E9364, TC-070896

Molecular Formula: C20H25NO2Molecular Weight: 311.418000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AZFLJNIPTRTECV-UHFFFAOYSA-N

• DIHYDROCYCLOSPORIN A
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | CAS Registry Number: 59865-15-5
Synonyms: DihydroCsA, Dihydrocyclosporin A, Cyclosporin A der., AIDS081102, AIDS-081102, CID73258, Cyclosporin A, 6-((3R,4R)-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-, Cyclosporin A, 6-[(3R,4R)-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid]-

Molecular Formula: C62H113N11O12Molecular Weight: 1204.627120 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: TYFOVYYNQGNDKH-CJOIJTDBSA-N

• DIHYDROCYCLOSPORIN C
IUPAC Name: 24-tert-butyl-30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhexyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | CAS Registry Number: 63556-15-0
Synonyms: Dihydrocyclosporin C, CID196411, Cyclosporin A, 6-((3R,4R)-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-7-L-threonine-, Cyclosporin A, 6-((R-(R*,R*))-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-7-L-threonine-

Molecular Formula: C62H113N11O13Molecular Weight: 1220.626520 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: HDCRMQFSACUFMR-UHFFFAOYSA-N

• Dihydromyricetin
IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 27200-12-0
Synonyms: Ampelopsin, Ampeloptin, (+)-Ampelopsin, Ampelopsin (flavanol), (+)-Dihydromyricetin, CHEBI:28429, CID161557, ZINC04096945, Flavanone, 3,3',4',5,5',7-hexahydroxy-, LS-39586, C02906, 3,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol, (2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone, (2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-, (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

Molecular Formula: C15H12O8Molecular Weight: 320.250980 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: KJXSIXMJHKAJOD-LSDHHAIUSA-N

• Disufenton Sodium
IUPAC Name: disodium 4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate | CAS Registry Number: 168021-79-2
Synonyms: Disufenton sodium, Cerovive, Nxy 059, Disufenton sodium [INN], NXY-059, UNII-7M1J3HN9VO, CPI 22, CPI-22, Disufenton sodium (USAN/INN), NXY059, CXY-059, ARL 16556, ARL-16556, CID6440181, LS-187003, D03875, C120851, Disodium (tert-butylimino)methyl)benzene-1,3-disulfonate N-oxide, Disodium 4-tert-butyliminomethyl)benzene-,3-disulfonate N-oxide, 1,3-Benzenedisulfonic acid, 4-(((1,1-dimethylethyl)imino)methyl)-, N-oxide, disodium salt

Molecular Formula: C11H13NNa2O7S2Molecular Weight: 381.332960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XLZOVRYBVCMCGL-BPNVQINPSA-L

• 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

• Docetaxel Trihydrate
Synonyms: docetaxel, Taxotere, Docetaxel hydrate, Taxotere (TN), Docetaxel (USAN), Docetaxel hydrate (JAN), Docetaxel [USAN:INN:BAN], CID148123, RP 56976, D02165, Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (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,8,1313-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, trihydrate, (alphaR,betaS)-, Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 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 ester trihydrate, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS),11alpha,12alpha,12aalpha,12balpha))-

Molecular Formula: C43H59NO17Molecular Weight: 861.925060 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 17

InChIKey: XCDIRYDKECHIPE-QHEQPUDQSA-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

• Egenine
IUPAC Name: 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol | CAS Registry Number: 6883-44-9
Synonyms: (+)-Egenine, AC1LCRHL, AGN-PC-0021N2, CTK8F1454, (6r,8s)-6-[(5s)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-8-ol, 119736-64-0, AG-G-66260, (6S)-6-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol, 6-(6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrofuro[3,4-E][1,3]benzodioxol-8-ol, 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol, Furo[3,4-e]-1,3-benzodioxol-8-ol,6,8-dihydro-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,[6R-[6a(S*),8a]]-;1,3-Dioxolo[4,5-g]isoquinoline,furo[3,4-e]-1,3-benzodioxol-8-ol deriv.;(+)-Decumbensine;(+)-Egenine;Decumbensine;Egenine;

Molecular Formula: C20H19NO6Molecular Weight: 369.367960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YMHFBUOKLSWOQF-UHFFFAOYSA-N

• Elocalcitol
IUPAC Name: (1R,3E,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol | CAS Registry Number: 199798-84-0
Synonyms: UNII-2WDS5F2V6Q, BXL 628, Ro 26-9228, 1alpha-Fluoro-25-hydroxy-16,23E-diene-26,27-bishomo-20-epi-cholecalciferol, Cyclohexanol, 3-((1-(5-ethyl-5-hydroxy-1-methyl-3-heptenyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-5-fluoro-4-methylene-, (3aS-(1(1R*,3E),3aalpha,4E(1S*,3Z,5R*),7abeta))-, Cyclohexanol, 3-((2E)-((3aS,7aS)-1-((1S,3E)-5-ethyl-5-hydroxy-1-methyl-3-heptenyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-5-fluoro-4-methylene-, (1R,3Z,5S)-

Molecular Formula: C29H43FO2Molecular Weight: 442.648923 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LRLWXBHFPGSUOX-ONBDRYFGSA-N

• Elvitegravir
IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 697761-98-1
Synonyms: GS-9137, D06677

Molecular Formula: C23H23ClFNO5Molecular Weight: 447.883823 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: JUZYLCPPVHEVSV-UHFFFAOYSA-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 HCL
IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione hydrochloride | CAS Registry Number: 359017-79-1
Synonyms: Enzastaurin, Enzastaurin Hydrochloride, UNII-KX7K68Z2UH, LY317615.HCl, Enzastaurin hydrochloride (USAN), CID176166, LY-317615, D04014, 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 monohydrochloride

Molecular Formula: C32H30ClN5O2Molecular Weight: 552.065900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UUADYKVKJIMIPA-UHFFFAOYSA-N

• Epothilone B
IUPAC Name: (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione | CAS Registry Number: 152044-54-7
Synonyms: Patupilone, (-)-Epothilone B, Epothilon B, EpoB, nchembio853-comp4, E2656_SIGMA, EPO 906, EPO906, EPO-906, CHEBI:252995, CID448013, LMPK04000041, NSC684363, NCGC00181131-01, LS-62193, C12154, 4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-, 4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-(1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S-(1R*,3R*(E),7R*,10S*,11R*,12R*,16S*))-, EPB, (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione

Molecular Formula: C27H41NO6SMolecular Weight: 507.682540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: QXRSDHAAWVKZLJ-PVYNADRNSA-N

• Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
Synonyms: 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine, AGN-PC-0079H2, CTK4F0792, AG-E-66895, KB-64594, FT-0675065, 1,5-Methano-1H-3-benzazepine-7,8-diamine,2,3,4,5-tetrahydro-3-(trifluoroacetyl)-, 1,5-Methano-1H-3-benzazepine-7,8-diamine,2,3,4,5-tetrahydro-3-(trifluoroacetyl)- (9CI);, 1-(7,8-Diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-ethanone, Ethanone,1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-

Molecular Formula: C13H14F3N3OMolecular Weight: 285.264970 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LWZYCQINJXEWRC-UHFFFAOYSA-N

• Etravirine
IUPAC Name: 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile | CAS Registry Number: 269055-15-4
Synonyms: Intelence, DAPY deriv, Etravirine [INN], Diaminopyrimidine deriv, Etravirine (USAN/INN), TMC-125, TMC125, TMC 125, AIDS105156, AIDS-105156, CID193962, R165335-TMC125, TMC-125/R-165335, D04112, R165335, R-165335, 65B, 394729-17-0, 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-

Molecular Formula: C20H15BrN6OMolecular Weight: 435.276700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: PYGWGZALEOIKDF-UHFFFAOYSA-N

• Evodine
Synonyms: Limonin, Evodin, Dictamnolactone, Citrolimonin, Obaculactone, Limonoid, Evodia fruit, Limonoate D-ring-lactone, Evodia fruit (TN), Ambap2144, Evodia fruit (JP15), Spectrum2_001728, Spectrum3_001012, Spectrum4_001140, Spectrum5_000935, BSPBio_002763, KBioGR_001659, SPECTRUM1800018, SPBio_001776, Limonoic acid, di-delta-lactone

Molecular Formula: C26H30O8Molecular Weight: 470.511600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: KBDSLGBFQAGHBE-MSGMIQHVSA-N

• Fenretinide
IUPAC Name: (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide | CAS Registry Number: 65646-68-6
Synonyms: FENRETINIDE, Fenretinimide, 4-hydroxyphenylretinamide, Fenretinidum [Latin], N-(4-Hydroxyphenyl)retinamide, Fenretinida [Spanish], 4-Hydroxyphenyl retinamide, 4-(hydroxyphenyl)retinamide, 4HPR, nchembio873-comp11, 4-HPR, Fenretinide [USAN:INN], McN-R-1967, 4 Hydroxyphenylretinamide, Spectrum5_001939, Fenretinide (USAN/INN), 13-cis-Isomer Fenretinide, all-trans-4'-Hydroxyretinanilide, Retinoic acid p-hydroxyanilide, CCRIS 3260

Molecular Formula: C26H33NO2Molecular Weight: 391.545720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AKJHMTWEGVYYSE-FXILSDISSA-N

• Formamide, N-[2-Hydroxy-5-[(1R)-1-Hydroxy-2-[[(1R)-2-(4-Methoxyphenyl)-1-Methylethyl]amino]ethyl]phenyl]-, (2R,3R)-2,3-Dihydroxybutanedioate (1:1) (salt)
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide | CAS Registry Number: 200815-49-2
Synonyms: Brovana, Arformoterol tartrate, Brovana (TN), (R,R)-Formoterol tartrate, (R,R)-Arformoterol tartrate, Arformoterol tartrate (USAN), UNII-5P8VJ2I235, CID9827062, D02981, 208102-41-4, Formamide, N-(2-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)

Molecular Formula: C23H30N2O10Molecular Weight: 494.491700 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: FCSXYHUNDAXDRH-OKMNHOJOSA-N

• FOSPROPOFOL DISODIUM
IUPAC Name: disodium [2,6-di(propan-2-yl)phenoxy]methyl phosphate | CAS Registry Number: 258516-87-9
Synonyms: Aquavan, Lusedra, Fospropofol disodium, Aquavan injection, Aquavan (TN), Fospropofol disodium (USAN), UNII-30868AY0IF, GPI-15715, MolPort-003-944-978, PQ-1002, GPI 15715, CID3038497, LS-192060, D04257, Methanol, (2,6-bis(1-methylethyl)phenoxy)-, dihydrogen phosphate, disodium salt

Molecular Formula: C13H19Na2O5PMolecular Weight: 332.240261 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LWYLQNWMSGFCOZ-UHFFFAOYSA-L

• FPL 67047XX; AR-C 67047MI
IUPAC Name: (4S)-5-(4-benzylphenyl)sulfanyl-4-(7-phenylheptanoylamino)pentanoic acid | CAS Registry Number: 154461-38-8
Synonyms: 1kvo, 4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid, AC1L2ST2, SureCN5595498, Fpl 67047XX, Fpl-67047XX, CHEMBL1234914, CHEBI:44687, (4S)-5-(4-benzylphenyl)sulfanyl-4-(7-phenylheptanoylamino)pentanoic acid, (S)-4-((1-Oxo-7-phenylheptyl)amino)-5-((4-(phenylmethyl)phenyl)thio)pentanoic acid, Pentanoic acid, 4-((1-oxo-7-phenylheptyl)amino)-5-((4-(phenylmethyl)phenyl)thio)-, (S)-

Molecular Formula: C31H37NO3SMolecular Weight: 503.695380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BLFSPSZATDQQMK-NDEPHWFRSA-N

• Galantamine
Synonyms: galanthamine, Lycoremin, Jilkon, (-)-Galanthamine, Galanthaminum, Galantamin, Lycoremine, Reminyl, Nivaline, Razadyne, Nivalin, Razadyne ER, 1qti, Reminyl (TN), Galantamine [USAN:INN], Spectrum_001271, 1dx6, Galantaminum [INN-Latin], Galanthamine hydrobromide, Galantamina [INN-Spanish]

Molecular Formula: C17H21NO3Molecular Weight: 287.353540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ASUTZQLVASHGKV-JDFRZJQESA-N

• Galarubicin hydrochloride
IUPAC Name: [2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate hydrochloride | CAS Registry Number: 140637-82-7
Synonyms: DA 125, CID114758, DA-125, LS-16020, 7-O-(2,6-Dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone-14-beta-alaniate hydrochloride, beta-Alanine, 2-((2S,4S)-4-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, hydrochloride, beta-Alanine, 2-(4-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, hydrochloride, (2S-cis)-

Molecular Formula: C30H33ClFNO13Molecular Weight: 670.033323 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 15

InChIKey: PISPJMVXLMWWNB-ZZBYHBTRSA-N

• Gardenoside
IUPAC Name: methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate | CAS Registry Number: 24512-62-7
Synonyms: CID442423, C09779

Molecular Formula: C17H24O11Molecular Weight: 404.365860 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: XJMPAUZQVRGFRE-AYDWLWLASA-N

• Gefarnate
IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate | CAS Registry Number: 51-77-4
Synonyms: gefarnate, Gefarnil, Gefarnyl, Gepharnate, Ulco, Geranyl farnesylacetate, GEFAMATE, Gefarnatum [INN-Latin], Gefarnato [INN-Spanish], Gefarnate [BAN:INN:JAN], Gefarnate [INN:BAN:JAN], EINECS 200-121-0, DA-688, AIDS001614, AIDS-001614, C27H44O2, LS-148920, (E,E,E)-5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid 3,7-dimethyl-2,6-octadienyl ester, trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate, 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (4E,8E)-

Molecular Formula: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZPACYDRSPFRDHO-ROBAGEODSA-N

• Geldanamycin
IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | CAS Registry Number: 30562-34-6
Synonyms: geldanamycin, geldanomycin, Geldanamycin (9CI), nchembio.83-comp18, BODIPY-labeled Geldanamycin, BSPBio_001073, NChemBio.2007.10-comp1, CID5288382, IDI1_002122, NCGC00163449-01, NCGC00163449-02, Geldanamycin, Streptomyces hygroscopicus, A00271, C11222, U-29135, 2-Azabicyclo[16.3.1]docosane, geldanamycin deriv., GDM, (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate, [(3S,5S,6R,7S,8E,10R,11S,12Z,14E)-6-Hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-8,12,14,18,21-pentaen-10-yl] carbamate

Molecular Formula: C29H40N2O9Molecular Weight: 560.635900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: QTQAWLPCGQOSGP-KSRBKZBZSA-N

• Geniposide
IUPAC Name: methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | CAS Registry Number: 24512-63-8
Synonyms: CID107848, ZINC03882101, C09781, 27745-20-6, Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-, Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,7aalpha))-

Molecular Formula: C17H24O10Molecular Weight: 388.366460 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: IBFYXTRXDNAPMM-BVTMAQQCSA-N

• Grepafloxacin
IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 119914-60-2
Synonyms: Raxar, Grepafloxacin [INN], Grepafloxacin (unspecified), CCRIS 7284, UNII-L1M1U2HC31, C19H22FN3O3, CHEBI:117136, AIDS008528, AIDS-008528, CID72474, OPC-17116, DB00365, NCGC00167527-01, LS-141560, 161967-81-3 (MONOHYDROCHLORIDE), C11368, 1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

Molecular Formula: C19H22FN3O3Molecular Weight: 359.394683 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: AIJTTZAVMXIJGM-UHFFFAOYSA-N


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