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Highpharm Chem&Indu Co., Ltd.

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Address: Rm1201,Shijilongteng Bldg, No.269 Zhongxing Road, Ningbo, Zhejiang 315000, China
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Profile: Highpharm Chem&Indu Co., Ltd. supplies active pharmaceutical ingredients (APIs), cosmetic raw materials, intermediates and fine chemicals. We deal with 2-chloropyrimidine, 5-bromopyrimidine, adenine, topiramate, 4-ethoxycarbonyl-3-ethoxyphenylacetic acid and 6-benzylaminopurine BA. Our 2-chloropyrimidine is a slightly yellow crystalline powder used as a raw material of bacteriophage.

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• Adenine
IUPAC Name: 7H-purin-6-amine | CAS Registry Number: 73-24-5
Synonyms: adenine, 6-Aminopurine, Adenin, Adeninimine, 1H-Purin-6-amine, Vitamin B4, Leuco-4, 2-aminopurine, Purine, 6-amino-, 9H-Purin-6-amine, Leucon, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, adenine-ring, Pedatisectine B, Adenine [JAN], 1jys, 1nli

Molecular Formula: C5H5N5Molecular Weight: 135.126700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GFFGJBXGBJISGV-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Synonyms: Nazasetron, Azasetron [INN], Azasetron (INN), Ambap1302, Azasetron [superceded RN], azasetron, (+-)-isomer, Biomol-NT_000105, C17H20ClN3O3.HCl, C17H20ClN3O3, BPBio1_001397, NCGC00024563-02, LS-172550, LS-172551, TL8000615, D07481, Y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

• Azelnidipine
IUPAC Name: 3-O-[1-[di(phenyl)methyl]azetidin-3-yl] 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 123524-52-7
Synonyms: Calblock, Azelnidipine [INN], Calblock (TN), Azelnidipine (JAN/INN), CS 905, CS-905, C33H34N4O6, CID65948, RS-9054, NCGC00167436-01, LS-131184, D01145, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3-(1-(Diphenylmethyl)-3-azetidinyl) 5-isopropyl (+-)-2-amino-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, 3-[1-(diphenylmethyl)azetidin-3-yl] 5-(1-methylethyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-,3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3-(1-diphenylmethylazetidin-3-yl)-5-isopropyl-2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Molecular Formula: C33H34N4O6Molecular Weight: 582.646260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZKFQEACEUNWPMT-UHFFFAOYSA-N

• Aziridine, 2-(phenylmethyl)-, (2S)-
IUPAC Name: (2S)-2-benzylaziridine | CAS Registry Number: 73058-30-7
Synonyms: (s)-2-benzylaziridine, (S)-2-BENZYL-AZIRIDINE, AG-G-88511, S-Benzyl-aziridine, S-2-benzyl aziridine, PubChem20894, (2S)-2-(phenylmethyl)aziridine, CTK5D7291, MolPort-002-501-499, ACT01826, ANW-44739, FC0759, Aziridine,2-(phenylmethyl)-, (2S)-, Aziridine,2-(phenylmethyl)-, (S)-;, AK-45125, KB-04939, AM20041087, ST51052118, A13297, A837704

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LKQAJXTWYDNYHK-VIFPVBQESA-N

• Benzimidazole
IUPAC Name: 1H-benzimidazole | CAS Registry Number: 51-17-2
Synonyms: BENZIMIDAZOLE, 1H-Benzimidazole, Benzoglyoxaline, Azindole, o-Benzimidazole, 1,3-Benzodiazole, Benziminazole, Benzoimidazole, 1,3-Diazaindene, 3-Azaindole, Hbzim, Hbim, benzimidazole mononitrate, N,N'-Methenyl-o-phenylenediamine, NSC 759, CCRIS 5967, WLN: T56 BM DNJ, benzimidazole monohydrochloride, HSDB 2797, MLS001066336

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HYZJCKYKOHLVJF-UHFFFAOYSA-N

• Candesartan cilexetil
IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate | CAS Registry Number: 145040-37-5
Synonyms: Atacand, Blopress, Parapres, Kenzen, Amias, Ratacand, Candesartan hexetil, Atacand (TN), Candesartan celexetil, ATACAND HCT, Blopress 16 mg Plus, Spectrum_001707, Spectrum2_000485, Spectrum3_000996, Spectrum4_001124, Spectrum5_001462, TCV-116, Candesartan cilexetil [USAN], TCV 116, BSPBio_002691

Molecular Formula: C33H34N6O6Molecular Weight: 610.659660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 12

InChIKey: GHOSNRCGJFBJIB-UHFFFAOYSA-N

• Capecitabine
IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate | CAS Registry Number: 154361-50-9
Synonyms: Xeloda, CAPECITABINE, Capecitabine [USAN], Xeloda (TN), Capecitabine (JAN/USAN/INN), C15H22FN3O6, Ro 09-1978, DB01101, Ro-09-1978, LS-59070, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, R-340, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, C12650, D01223, C110904, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Molecular Formula: C15H22FN3O6Molecular Weight: 359.350083 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GAGWJHPBXLXJQN-UORFTKCHSA-N

• Clopidogrel Bisulfate
IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate; sulfuric acid | CAS Registry Number: 120202-66-6
Synonyms: Plavix, Iscover, Clopidogrel bisulfate, Isocover, Isocover (TN), Clopidogrel hemisulfate, Plavix (TN), Clopidogrel hydrogen sulfate, CLOPIDOGREL SULFATE, Clopidogrel hydrogensulfate, Clopidogrel Bisulfate [USAN], Clopidogrel sulfate (JAN), Clopidogrel bisulfate (USAN), SPECTRUM1503710, C16H16ClNO2S.H2O4S, SR 25990C, CID115366, PM-103, SR-25990C, DV-7314

Molecular Formula: C16H18ClNO6S2Molecular Weight: 419.900220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: FDEODCTUSIWGLK-RSAXXLAASA-N

• Clopidogrel Hydrobromide
IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate | CAS Registry Number: 113665-84-2
Synonyms: clopidogrel, Plavix, (+)-Clopidogrel, Clopidogrel (TN), Clopidogrel (INN), Plavix (TN), Spectrum_000105, Clopidogrel [BAN:INN], Clopidogrel [INN:BAN], Spectrum2_000512, Spectrum3_001606, Spectrum4_000175, CLOPIDOGREL SULFATE, C16H16ClNO2S, BSPBio_003211, KBioGR_000689, KBioSS_000545, MLS001165708, MLS001195633, MLS001304711

Molecular Formula: C16H16ClNO2SMolecular Weight: 321.821740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GKTWGGQPFAXNFI-HNNXBMFYSA-N

• Cyclopentanol, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [1S-(1a,2b,3a,5b)]-
IUPAC Name: (2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol | CAS Registry Number: 142217-78-5
Synonyms: (2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-2-(benzyloxymethyl)cyclopentanol, CTK8E2646, AKOS015839300, AKOS015896675, RL01753, KB029209, FT-0688445, I06-2224, (2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmet hyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-2-(benzyloxymeth yl)cyclopentanol

Molecular Formula: C52H49N5O5Molecular Weight: 823.975960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZLWZEFPIJWNPCO-WCYZHHTASA-N

• Cyclopentanol, 5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (1S,2S,3S,5S)-
IUPAC Name: (1S,2S,3S,5S)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol | CAS Registry Number: 142217-77-4
Synonyms: (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol, SureCN2519691, CYC088, CYC089, CTK8B4566, MolPort-009-197-935, ANW-45489, RW2435, AKOS015896664, AG-D-83712, AM84384, AK-33259, KB-00819, FT-0649264, FT-0686412, R3-04, W3096, A807869, I06-2208, (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benz yloxy)-2-(benzyloxymethyl)cyclopentanol

Molecular Formula: C32H33N5O4Molecular Weight: 551.635520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: SYPCZZWUNIHLBU-COROXYKFSA-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

• 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

• Denopamine
IUPAC Name: 4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol | CAS Registry Number: 71771-90-9
Synonyms: Kalgut, R(-)-Denopamine, Kalgut (TN), nchembio873-comp24, Denopamine (JAN/INN), Lopac-D-7815, D7815_SIGMA, TA-064, CID5311064, NCGC00015367-01, D02614, (-)-alpha-(3,4-Dimethoxyphenethylaminomethyl)-4-hydroxy-?benzyl-?alcohol, 4-[(1R)-2-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenol

Molecular Formula: C18H23NO4Molecular Weight: 317.379520 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: VHSBBVZJABQOSG-INIZCTEOSA-N

• Doxofylline
IUPAC Name: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione | CAS Registry Number: 69975-86-6
Synonyms: Maxivent, Ansimar, Ventax, Dioxyfilline, Doxophylline, DOXOFYLLINE, Maxivent (TN), TMDO, Doxofylline [USAN:INN], Doxofilina [INN-Spanish], Doxofyllinum [INN-Latin], Doxofylline (USAN/INN), MLS001214637, ABC 12/3, EINECS 274-239-6, BB_SC-2105, C11H14N4O4, ABC-12/3, ABC-1213, BRN 0561195

Molecular Formula: C11H14N4O4Molecular Weight: 266.253260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: HWXIGFIVGWUZAO-UHFFFAOYSA-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

• 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

• Ethyl (R)-(+)-4-Chloro-3-hydroxybutanoate
IUPAC Name: ethyl (3R)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 90866-33-4
Synonyms: 460516_ALDRICH, ZINC02558233, Ethyl (R)-()-4-chloro-3-hydroxybutyrate, TL8005828, (R)-(+)-Ethyl-4-chloro-3-hydroxybutyrate

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

InChIKey: ZAJNMXDBJKCCAT-RXMQYKEDSA-N

• Ethyl imidazole-4-carboxylate
IUPAC Name: ethyl 1H-imidazole-5-carboxylate | CAS Registry Number: 23785-21-9
Synonyms: Ethyl 4(5)-imidazolecarboxylate, Ethyl 1H-imidazole-5-carboxylate, AIDS174768, AIDS-174768, NSC191283, ZINC04352761, NSC 191283, C-751, Imidazole-5-carboxylic acid, ethyl ester, 1H-Imidazole-4-carboxylic acid ethyl ester, 1H-Imidazole-4-carboxylic acid, ethyl ester, C 751

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KLWYPRNPRNPORS-UHFFFAOYSA-N

• Ethyl Trifluoroacetoacetate
IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate | CAS Registry Number: 372-31-6
Synonyms: Ethyl trifluoroacetoacetate, Ethyl 4,4,4-trifluoroacetoacetate, Ethyl (trifluoroacetyl)acetate, E50205_ALDRICH, 91670_FLUKA, NSC42739, EINECS 206-750-7, NSC 42739, SBB008825, ZINC01675532, Ethyl 3-oxo-4,4,4-trifluorobutyrate, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, AI3-52657, TL8002743, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, 3S103742, 3S211037

Molecular Formula: C6H7F3O3Molecular Weight: 184.113190 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N

• Fexofenadine HCL
IUPAC Name: 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid hydrochloride | CAS Registry Number: 153439-40-8
Synonyms: Allegra, Telfast, fexofenadine, Altiva, Allegra Flash, Allegra (TN), ALLEGRA-D, FEXOFENADINE HYDROCHLORIDE, Fexofenidine hydrochloride, MDL 16455 hydrochloride, C32H39NO4.HCl, MLS001306422, MLS001332493, MLS001332494, F9427_SIGMA, SPECTRUM1504179, Carboxyterfenadine hydrochloride, MDL 16,455A, Terfenadine carboxylate hydrochloride, Fexofenadine hydrochloride [USAN]

Molecular Formula: C32H40ClNO4Molecular Weight: 538.117300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: RRJFVPUCXDGFJB-UHFFFAOYSA-N

• Formoterol
IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide | CAS Registry Number: 73573-87-2
Synonyms: formoterol, FORMOTEROL FUMARATE, Formoterolum [INN-Latin], Formoterol [USAN:INN], HSDB 7287, CID3410, DB00983, NCGC00181126-01, C07805, N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide, (+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide

Molecular Formula: C19H24N2O4Molecular Weight: 344.404860 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: BPZSYCZIITTYBL-UHFFFAOYSA-N

• Formoterol Fumarate
IUPAC Name: (E)-but-2-enedioic acid; N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide; N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide | CAS Registry Number: 43229-80-7
Synonyms: Foradil, Foradil (TN), FORMOTEROL FUMARATE, Formoterol fumarate (USAN), D01373

Molecular Formula: C42H52N4O12Molecular Weight: 804.881880 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 14

InChIKey: OBRNDARFFFHCGE-WXXKFALUSA-N

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

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

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Guaiacol glycidyl ether
IUPAC Name: 2-[(2-methoxyphenoxy)methyl]oxirane | CAS Registry Number: 2210-74-4
Synonyms: Guajacol-glycidaether, Guajacol-glycidaether [German], ((o-Methoxyphenoxy)methyl)oxirane, WLN: T3OTJ B1OR BO1, EINECS 218-644-8, 1,2-Epoxy-3-(o-methoxyphenoxy)propane, NSC 112256, NSC 133442, BRN 0007199, NSC112256, NSC133442, Propane, 1,2-epoxy-3-(o-methoxyphenoxy)-, Oxirane, ((2-methoxyphenoxy)methyl)-, Oxirane, [(2-methoxyphenoxy)methyl]-, LS-120800, Oxirane, ((2-methoxyphenoxy)methyl)- (9CI), 5-17-03-00024 (Beilstein Handbook Reference)

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RJNVSQLNEALZLC-UHFFFAOYSA-N

• Ilaprazole
IUPAC Name: 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole | CAS Registry Number: 172152-36-2
Synonyms: Aldenon, Ilaprazole [INN], UNII-776Q6XX45J, CID214351, Iy 81149, IY-81149, 2-((RS)-((4-Methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-5-(1H-pyrrol-1-yl)-1H-benzimidazole

Molecular Formula: C19H18N4O2SMolecular Weight: 366.436820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HRRXCXABAPSOCP-UHFFFAOYSA-N

• Imidazole-4,5-Dicarboxylic Acid
IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid | CAS Registry Number: 570-22-9
Synonyms: 4,5-Dicarboxyimidazole, Glyoxalinedicarboxylic acid, Imidazole-4,5-dicarboxylic acid, 4,5-Imidazoledicarboxylic acid, 4,5-Imidazoledicarboxylate, Glycoxalinedicarboxylic acid, 1H-Imidazole-4,5-dicarboxylic acid, Oprea1_181026, 246115_ALDRICH, alpha-beta-Imidazolecarboxylic acid, NSC 9236, 56757_FLUKA, EINECS 209-327-5, TOS-BB-0099, alpha,beta-Imidazoledicarboxylic acid, NSC9236, AIDS021309, AIDS-021309, BRN 0147774, AI3-52411

Molecular Formula: C5H4N2O4Molecular Weight: 156.096260 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZEVWQFWTGHFIDH-UHFFFAOYSA-N

• Imidazole-4-carboxaldehyde
IUPAC Name: 1H-imidazole-5-carbaldehyde | CAS Registry Number: 3034-50-2
Synonyms: 1H-Imidazole-4-carbaldehyde, 4(5)-Imidazolecarboxaldehyde, 1H-Imidazole-4-carboxaldehyde, 456128_ALDRICH, Imidazole C-4(5) deriv. 6, Imidazole-4(1H)-carboxaldehyde, EINECS 221-227-3, NSC400521, SBB004381, ZINC01069168, ZINC04085738, CC 08804, AB-131/25126048

Molecular Formula: C4H4N2OMolecular Weight: 96.087360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZQEXIXXJFSQPNA-UHFFFAOYSA-N

• Isopropyl 2-(3-Nitrobenzylidene)acetoacetate
IUPAC Name: propan-2-yl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate | CAS Registry Number: 39562-25-9
Synonyms: AG-F-39799, AC1MZRKL, SureCN1499798, (E)-ISOPROPYL 2-(3-NITROBENZYLIDENE)-3-OXOBUTANOATE, CTK4I1523, ANW-45266, MCULE-6356661836, KB-254459, isopropyl 2-(3-nitrobenzylidene) acetacetate, Isopropyl 2-(m-nitrobenzylidene)acetoacetate;, A824619, propan-2-yl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate, 2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid propan-2-yl ester, Butanoic acid,2-[(3-nitrophenyl)methylene]-3-oxo-, 1-methylethyl ester, propan-2-yl 2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Molecular Formula: C14H15NO5Molecular Weight: 277.272600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KSZOTXZFYCRWQK-UHFFFAOYSA-N

• Levetiracetam
IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamide | CAS Registry Number: 102767-28-2
Synonyms: Keppra, Etiracetam, Torleva, Keppra XR, etiracetam, S-isomer, Levetiracetam [INN], Etiracetam levo-isomer, ucb L060, SIB-S1, Levetiracetamum [INN-Latin], MLS000759403, MLS001424069, UCB-L059, C8H14N2O2, UCB-L 059, CID5284583, CPD000466303, SAM001246539, SMR000466303, (2S)-2-(2-oxopyrrolidin-1-yl)butanamide

Molecular Formula: C8H14N2O2Molecular Weight: 170.208960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HPHUVLMMVZITSG-LURJTMIESA-N

• Masilukast (R&D)
IUPAC Name: 3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-(4,4,4-trifluoro-2-methylbutyl)indole-5-carboxamide | CAS Registry Number: 136564-68-6
Synonyms: SureCN157377, CHEMBL24652, CHEBI:132094, L005215, 3-(2-methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methylbutyl]-1H-indole-5-carboxamide

Molecular Formula: C31H32F3N3O5SMolecular Weight: 615.663090 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: ULMFXAMQUGLVGA-UHFFFAOYSA-N

• Methyl 2-(4-[4-(4-Benzhydryloxy-Piperidin-1-Yl)-Butyryl]-PHENYL)-2-Methylpropionate
IUPAC Name: methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate | CAS Registry Number: 154477-54-0
Synonyms: Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate, 2-[4-(4-CHLORO-1-OXOBUTYL)-, Methyl 4-(4-chloro-1-oxobutyl)-alfa,alfa-dimethylbenzene acetate, SureCN1502354, (OR), CTK4C8268, MolPort-005-937-999, -a,a-DIMETHYL PHENYLACETATE, SBB064522, ZINC21991760, AKOS015890024, AG-E-02411, AC-18947, AK116713, O878, AM20030050, FT-0655725, METHYL [4-(4-CHLORO-1-OXOBUTYL)], M-1367, I01-5030

Molecular Formula: C15H19ClO3Molecular Weight: 282.762560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ULWORPZJUIFPIC-UHFFFAOYSA-N

• Methyl 2-Bromo-3-[4-[2-(5-Ethyl-2-Pyridyl)ethoxy]phenyl]propionate
IUPAC Name: methyl 2-bromo-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate | CAS Registry Number: 105355-25-7
Synonyms: methyl 2-bromo-3-(4-(2-(5-ethylpyridin-2-yl)ethoxy)phenyl)propanoate, Methyl 2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate, Methyl 2-bromo-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate, Methyl2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate, 2-Bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propionic acid methyl ester, 2-bromo-3-(4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl)propionic acid methyl ester, AGN-PC-00CMHN, Jsp000505, ACT04246, ANW-60367, SBB070996, AKOS015900317, AC-3451, AK101241, KB-168851, FT-0653888, I14-0808

Molecular Formula: C19H22BrNO3Molecular Weight: 392.286880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CJQRUDWOZDEKKO-UHFFFAOYSA-N

• Methyl 4-imidazolecarboxylate
IUPAC Name: methyl 1H-imidazole-5-carboxylate | CAS Registry Number: 17325-26-7
Synonyms: Methyl 1H-Imidazole-5-Carboxylate, Methyl 1H-imidazole-4-carboxylate, Methyl imidazole-4-carboxylate, SBB053938, 1H-Imidazole-5-carboxylic Acid Methyl Ester, ST51038350, zlchem 863, AC1LBWSR, PubChem16142, ACMC-209wfb, Imidazole-4-carboxylic acid, methyl ester, AC1Q5ZCD, SureCN69204, ACMC-209e6a, SureCN692343, AC1Q43QD, KSC174G6F, MLS001074873, methyl imidazole-5-carboxylate, 427500_ALDRICH

Molecular Formula: C5H6N2O2Molecular Weight: 126.113340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DVLGIQNHKLWSRU-UHFFFAOYSA-N

• mitiglinide
IUPAC Name: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate | CAS Registry Number: 145525-41-3
Synonyms: Mitiglinide, Mitiglinide calcium, Kad-1229, KAD 1229, 2C19H24NO3.Ca, CID5478927, LS-173249, C13326, S21403, 2-Benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate, Calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate dihydrate, 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, (2(S)-cis)-

Molecular Formula: C38H48CaN2O6Molecular Weight: 668.875520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PMRVFZXOCRHXFE-FMEJWYFOSA-L

• N-(2,6-Dimethyl-phenyl)-2-piperazin-1-yl-acetamide
IUPAC Name: 2-[(2-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid | CAS Registry Number: 5294-61-1

Molecular Formula: C16H15ClN2O3Molecular Weight: 318.754900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PGTUOOFJGHAMOZ-UHFFFAOYSA-N

• N-Methylimidazole
IUPAC Name: 1-methylimidazole | CAS Registry Number: 616-47-7
Synonyms: 1-methylimidazole, 1H-Imidazole, 1-methyl-, IMIDAZOLE, 1-METHYL-, 1-Methyl-1H-imidazole, Lopac-M-8878, 1-Methylimidazole solution, WLN: T5N CNJ A1, Lopac0_000831, M50834_ALDRICH, 336092_ALDRICH, 06849_FLUKA, 67560_FLUKA, EINECS 210-484-7, NSC 88064, NSC88064, SBB007574, NCGC00015702-01, NCGC00094162-01, NCGC00094162-02, Cap B (1-methylimidazole 16% in THF)

Molecular Formula: C4H6N2Molecular Weight: 82.103840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MCTWTZJPVLRJOU-UHFFFAOYSA-N

• Olmesartan
IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate | CAS Registry Number: 144689-78-1
Synonyms: N-Butyl Olmesartan Medoxomil, SCHEMBL2844872, MolPort-027-836-950, AKOS016012150, AM90309, AK122587, 1H-Imidazole-5-carboxylic acid, 2-butyl-4-(1-hydroxy-1-methylethyl)-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester

Molecular Formula: C30H32N6O6Molecular Weight: 572.611680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: UREFBEDUPPNTPO-UHFFFAOYSA-N

• Olmesartan
IUPAC Name: 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid | CAS Registry Number: 144689-24-7
Synonyms: Benicar, Olmetec, Votum, Olmesartan medoxomil, Olmesartan [USAN], Olmesartan (USAN/INN), Cs 866, MLS000759446, MLS001424016, RNH-6270, CHEBI:48416, CS-866, CPD000466337, SAM001246634, SMR000466337, LS-181800, D05246, 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid

Molecular Formula: C24H26N6O3Molecular Weight: 446.501640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: VTRAEEWXHOVJFV-UHFFFAOYSA-N

• Ondansetron Hcl
IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one dihydrate hydrochloride | CAS Registry Number: 103639-04-9
Synonyms: Zofran, Zensana, Zofrene, Zophren, Yatrox, Zofran Zydis, Zofran ODT, Zofran (TN), ONDANSETRON HYDROCHLORIDE, C18H19N3O.HCl, Ondansetron hydrochloride dihydrate, ZOFRAN PRESERVATIVE FREE, Ondansetron hydrochloride hydrate, Ondansetron hydrochloride [USAN:JAN], ZOFRAN IN PLASTIC CONTAINER, CID59774, EUR-1025, GG-032, GR-38032F, SN-307

Molecular Formula: C18H24ClN3O3Molecular Weight: 365.854460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: VRSLTNZJOUZKLX-UHFFFAOYSA-N

• Ondansetron Hydrochloride Dihydrate
IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one hydrochloride | CAS Registry Number: 99614-01-4
Synonyms: Zofran, Zophren, Zudan, Zofran ODT, ONDANSETRON HCl, Ambap5351, ONDANSETRON HYDROCHLORIDE, MLS001304076, MLS001401397, GR 38032F, Ondansetron hydrochloride dihydrate, SN 307, NSC665799, NSC 665799, CPD000469179, LS-51879, SAM001246631, SMR000469179, FE6373975, TL8000158

Molecular Formula: C18H20ClN3OMolecular Weight: 329.823900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MKBLHFILKIKSQM-UHFFFAOYSA-N

• Oxiracetam
IUPAC Name: 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 62613-82-5
Synonyms: oxiracetam, Hydroxypiracetam, Neuractiv, Neuromet, Oriest, 4-Hydroxypiracetam, (+-)-Oxiracetam, Oxiracetam (INN), Oxiracetam [BAN:INN], Oxiracetamum [INN-Latin], CCRIS 4221, Lopac0_000933, O3011_SIGMA, CT-848, CGP 21690E, ISF 2522, ISF-2522, C6H10N2O3, CGP-21690E, 4-Hydroxy-2-oxo-1-pyrrolidineacetamide

Molecular Formula: C6H10N2O3Molecular Weight: 158.155200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IHLAQQPQKRMGSS-UHFFFAOYSA-N

• Phenylsuccinic Acid
IUPAC Name: 2-phenylbutanedioic acid | CAS Registry Number: 635-51-8
Synonyms: Phenylsuccinic acid, Phenylsuccinate, 2-Phenylsuccinate, 2-Phenylsuccinic acid, Succinic acid, phenyl-, Butanedioic acid, phenyl-, Phenyl-succinic acid, dl-Phenylsuccinic acid, ()-Phenylsuccinic acid, (S)-Phenylsuccinic acid, alpha-Phenylsuccinic acid, .alpha.-Phenylsuccinic acid, P35200_ALDRICH, Succinic acid, phenyl- (8CI), 78170_FLUKA, AIDS017701, AIDS-017701, NSC11342, NSC16635, EINECS 211-238-1

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LVFFZQQWIZURIO-UHFFFAOYSA-N

• Pioglitazone
IUPAC Name: 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 111025-46-8
Synonyms: Actos, Zactos, Pioglitazonum [INN-Latin], nchembio790-comp10, Pioglitazona [INN-Spanish], Pioglitazone [BAN:INN], Spectrum_001623, pioglitazone hydrochloride, Spectrum2_001679, Spectrum3_001002, Spectrum4_001130, Spectrum5_001480, Spectrum5_002067, Pioglitazone [INN:BAN], BSPBio_002723, KBioGR_001619, KBioSS_002103, HSDB 7322, SPBio_001897, CHEBI:8228

Molecular Formula: C19H20N2O3SMolecular Weight: 356.438700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N

• Piperidinium acetate
IUPAC Name: acetic acid; piperidine | CAS Registry Number: 4540-33-4
Synonyms: IUPAC: Acetic Acid; Piperidine, EINECS 224-890-7, CID9793820, P1481

Molecular Formula: C7H15NO2Molecular Weight: 145.199500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RAIYODFGMLZUDF-UHFFFAOYSA-N

• Ranolazine
IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide | CAS Registry Number: 95635-55-5
Synonyms: Ranexa, RANOLAZINE, Latixa, Ranolazine 2HCl, (-)-Ranolazine, Ran4, ( -)-Ranolazine, Ranolazine dihydrochloride, Ranexa (TN), Ranolazine [USAN], RAN D, Ranolazine (USAN/INN), Lopac0_001062, BSPBio_002276, MLS002154149, SPECTRUM1505366, CVT-303, CID56959, KEG-1295, DB00243

Molecular Formula: C24H33N3O4Molecular Weight: 427.536520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XKLMZUWKNUAPSZ-UHFFFAOYSA-N

• Resveratrol
IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• Rocuronium Bromide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide | CAS Registry Number: 119302-91-9
Synonyms: Zemuron, Esmeron, Eslax, ROCURONIUM BROMIDE, Zemuron (TN), Org-9426, Rocuronium bromide (JAN/USAN/INN), D00765, (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane bromide

Molecular Formula: C32H53BrN2O4Molecular Weight: 609.678220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

• Sennoside C
IUPAC Name: 4-hydroxy-9-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid | CAS Registry Number: 37271-16-2
Synonyms: Sennoside D, CID161940, (9,9'-Bianthracene)-2-carboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (R*,R*)-

Molecular Formula: C42H40O19Molecular Weight: 848.755600 [g/mol]
H-Bond Donor: 12H-Bond Acceptor: 19

InChIKey: ZFWOUNNKSHIAFK-JZOSXXJUSA-N

• Sennoside D
IUPAC Name: (9S)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid | CAS Registry Number: 37271-17-3

Molecular Formula: C42H40O19Molecular Weight: 848.755600 [g/mol]
H-Bond Donor: 12H-Bond Acceptor: 19

InChIKey: ZFWOUNNKSHIAFK-VMRRTVKCSA-N


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