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Shanghai Yongyi Biotechnology Co,.Ltd.

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Profile: Shanghai Yongyi Biotechnology Co,.Ltd. specializes in oncology, peptide, sports nutrition and dieting ingredients. Our products include abacavir, aclidinium bromide, adapalene, adefovir dipivoxil, alfacalcidol, amiodarone, aprepitant and argatroban. Abacavir includes N-(2-amino-4,6-dichloro-5-pyrimidinyl) formamide, 2,5-diamino-4,6-dihydroxy pyrimidine hydrochloride and 2-azabicyclo[2.2.1]hept-5-en-3-one.

1 to 50 of 182 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 4 >> Next 50 Results
• Abacavir
IUPAC Name: [(4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopenten-1-yl]methanol;sulfuric acid | CAS Registry Number: 136777-48-5
Synonyms: AKOS015962201, FT-0606626

Molecular Formula: C28H38N12O6SMolecular Weight: 670.743120 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 16

InChIKey: ONBGCFRRXHDVAP-RCWTXCDDSA-N

• Aclidinium Bromide
IUPAC Name: [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide | CAS Registry Number: 320345-99-1
Synonyms: Aclidinium bromide, Bretaris, Eklira, Tudorza Pressair, UNII-UQW7UF9N91, LAS-34273, CHEMBL551466, CHEBI:65344, LAS W-330, LAS-W-330, CHEBI:662404, LAS 34273, 1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydi-2-thienylacetyl)oxy)-1-(3-phenoxypropyl)-, bromide, (3R)-, Eklira genuair (TN), Tudorza pressair (TN), SureCN72694, LAS-34273 Micronized, UQW7UF9N91, KRP-AB1102, Aclidinium bromide [USAN:INN]

Molecular Formula: C26H30BrNO4S2Molecular Weight: 564.554700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XLAKJQPTOJHYDR-QTQXQZBYSA-M

• 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

• Adefovir Dipivoxil
IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate | CAS Registry Number: 142340-99-6
Synonyms: Hepsera, Preveon, Adefovir pivoxil, ADEFOVIR DIPIVOXIL, Adefovirdipivoxl, YouHeDing, adefovir depivoxil, Bis(pom)PMEA, Hepsera (TN), Piv2PMEA, ADEFOVIR, bis-POM PMEA, PMEA, Bis(POM)-PMEA, Ambap2538, Adefovir pivoxil (JAN), Adefovir dipivoxil (USAN), C20H32N5O8P, GS 840, GS-840

Molecular Formula: C20H32N5O8PMolecular Weight: 501.470541 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 13

InChIKey: WOZSCQDILHKSGG-UHFFFAOYSA-N

• Alfacalcidol
IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

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

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Amidation
• Amiodarone Base
IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone | CAS Registry Number: 1951-25-3
Synonyms: amiodarone, Amiodarona, Amjodaronum, Cordarone, Kordaron, Tachydaron, Amiobeta, Amiodarex, Amiohexal, Corbionax, Cordarex, Ortacrone, Rytmarone, Trangorex, Aratac, Braxan, Amiodarone HCL, Amiodarone hydrochloride, nchembio.79-comp9, nchembio732-comp1

Molecular Formula: C25H29I2NO3Molecular Weight: 645.311600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N

• Aprepitant
IUPAC Name: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | CAS Registry Number: 170729-80-3
Synonyms: Emend, Aprepitant [USAN], MK 869, MK 0869, DB00673, NCGC00181785-01, LS-156477, L 754030, 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, 3H-1,2,4-Triazol-3-one, 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, (2R-(2alpha(R*),3alpha))-, 221350-96-5, 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Molecular Formula: C23H21F7N4O3Molecular Weight: 534.426662 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ATALOFNDEOCMKK-BYYRLHKVSA-N

• Argatroban
IUPAC Name: (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate | CAS Registry Number: 141396-28-3
Synonyms: argatroban, Novastan, Argatroban hydrate, Novastan (TN), Argatroban (USAN), Argatroban hydrate (JAN), D00181

Molecular Formula: C23H38N6O6SMolecular Weight: 526.649420 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: AIEZTKLTLCMZIA-LINCPPCXSA-N

• Benfotiamine
IUPAC Name: S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate | CAS Registry Number: 22457-89-2
Synonyms: benfotiamine, Benphothiamine, Nitanevril, Vitanevril, Betivina, Biotamin, Neurostop, Tabiomyl, Berdi, benfothiamine, BTMP-benfo, BTMP, Prestwick_68, Benfotiaminum [INN-Latin], Benfotiamina [INN-Spanish], Benzoylthiamine monophosphate, Prestwick2_000654, Prestwick3_000654, Thiamine monophosphate benzoyl, S-Benzoylthiamine O-monophosphate

Molecular Formula: C19H23N4O6PSMolecular Weight: 466.447881 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: BTNNPSLJPBRMLZ-LGMDPLHJSA-N

• Benzeneacetic acid, 3-ethoxy-4-(ethoxycarbonyl)-
IUPAC Name: 2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid | CAS Registry Number: 99469-99-5
Synonyms: 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid, 2-(3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, AG-I-01773, 4-Ethoxycarbonyl-3-ethoxyphenylacetic acid, 3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid, 3-ETHOXY-4-(ETHOXYCARBONYL)BENZENEACETIC ACID, (3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, [3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid, PubChem13653, ACMC-209scr, UNII-GG6C71LIOD, SureCN391346, KSC496G2B, Repaglinide related compound B, CTK3J6320, MolPort-001-758-023, ACT00935, ANW-41017, Repaglinide related compound B [USP], AKOS015919544

Molecular Formula: C13H16O5Molecular Weight: 252.263140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OTGSESBEJUHCES-UHFFFAOYSA-N

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

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

InChIKey: AIZPFZIKHIJCQX-UHFFFAOYSA-N

• Benzyl mercaptan
IUPAC Name: phenylmethanethiol | CAS Registry Number: 100-53-8
Synonyms: Benzenemethanethiol, Phenylmethanethiol, alpha-Toluenethiol, Benzylthiol, Thiobenzyl alcohol, alpha-Toluolthiol, BENZYL MERCAPTAN, Benzylhydrosulfide, Benzyl hydrosulfide, .alpha.-Toluenethiol, alpha-Tolyl mercaptan, Phenylmethyl mercaptan, Toluene-alpha-thiol, Methanethiol, phenyl-, alpha-Mercaptotoluene, (Mercaptomethyl)benzene, .alpha.-Toluolthiol, Thiol, polymer-bound, Toluene, alpha-mercapto-, .alpha.-Mercaptotoluene

Molecular Formula: C7H8SMolecular Weight: 124.203420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UENWRTRMUIOCKN-UHFFFAOYSA-N

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

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

InChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-N

• 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

• Bivalirudin
Synonyms: Angiomax, Hirulog, Hirulog-1, Angiomax (TN), Bivalirudin (USAN/INN), Bivalirudin [USAN:BAN:INN], C9H11NO.C2H6.CH4, BG8967, BG-8967, DB00006, DB02351, LS-172701, D03136, Phe-Pro-Arg-Pro-(Gly)4 desulfato-Tyr63'-hirugen, Phe-Pro-Arg-Pro-(Gly)4-desulfohirudin-(53-64), D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucine, L-Leucine, D-phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-, Phe-Pro-Arg-Pro-(Gly)4-Asn-Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

Molecular Formula: C98H138N24O33Molecular Weight: 2180.285320 [g/mol]
H-Bond Donor: 28H-Bond Acceptor: 37

InChIKey: OIRCOABEOLEUMC-GEJPAHFPSA-N

• BOC-D-Serine
IUPAC Name: (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | CAS Registry Number: 6368-20-3
Synonyms: ZINC03123571

Molecular Formula: C8H14NO5-Molecular Weight: 204.200460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHOAKXBXYSJBGX-RXMQYKEDSA-M

• Boc-O-methyl-D-Ser
IUPAC Name: (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 86123-95-7
Synonyms: Boc-o-Methyl-D-serine, AmbotzBAA5020, (R)-2-TERT-BUTOXYCARBONYLAMINO-3-METHOXY-PROPIONIC ACID, CTK8B7152, MolPort-004-785-598, ACN-S001503, ANW-56530, RW3039, AK-32390, AM808174, FT-0689481, X4725, A841566, D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl-, (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2R)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid

Molecular Formula: C9H17NO5Molecular Weight: 219.234980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RFGMSGRWQUMJIR-ZCFIWIBFSA-N

• Brimonidine D-Tartrate
IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; (2R,3R)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 70359-46-5
Synonyms: Alphagan, brimonidine, Alphagan P, Brominide tartrate, brimonidine Purite, Alphagan (TN), BRIMONIDINE TARTRATE, UNII-4S9CL2DY2H, Brimonidine tartrate (USAN), Brimonidine tartrate [USAN], C11H10BrN5.C4H6O6, AGN 190342LF, 59803-98-4 (Parent), CID54405, LS-177484, D02076, brimonidine tartrate (1:1), (S-(R*,R*))-isomer, 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline D-tartrate (1:1), 79570-19-7, 109826-56-4

Molecular Formula: C15H16BrN5O6Molecular Weight: 442.221440 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: QZHBYNSSDLTCRG-LREBCSMRSA-N

• Calcipotriene
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[1-[(E,2R,5R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 112828-00-9
Synonyms: calcipotriene, Calcipotriol, CID6435783

Molecular Formula: C27H40O3Molecular Weight: 412.604700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LWQQLNNNIPYSNX-VVAPROMRSA-N

• Calcipotriol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 112965-21-6
Synonyms: calcipotriene, Dovonex, Dovonex (TN), Calcipotriol (JAN), Calcipotriene (USAN), D01125

Molecular Formula: C27H40O3Molecular Weight: 412.604700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LWQQLNNNIPYSNX-QNRBAYFRSA-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

• Chlorination
IUPAC Name: 5-chloroquinolin-8-ol; 7-chloroquinolin-8-ol; 5,7-dichloroquinolin-8-ol

Molecular Formula: C27H17Cl4N3O3Molecular Weight: 573.254180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XCQBENAYFZFNAR-UHFFFAOYSA-N

• Cholesterol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 57-88-5
Synonyms: cholesterol, Cholesterin, Cordulan, Dusoline, Dusoran, Cholesterine, Cholestrin, Cholestrol, Hydrocerin, Provitamin D, Dythol, Kathro, Lanol, Super hartolan, Lidinite, Lidinit, Cholesteryl alcohol, Cholesterol base H, Cholest-5-en-3beta-ol, Tegolan

Molecular Formula: C27H46OMolecular Weight: 386.653540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-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

• D-Serine
IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acid | CAS Registry Number: 312-84-5
Synonyms: D-serine, serine, Serine D-form, L-serine, DL-Serine, D-Serin, L-ser, beta-Hydroxyalanine, 1pb8, nchembio.145-comp14, SERINE (L), Biomol-NT_000197, Lopac0_001088, S4250_SIGMA, BPBio1_001226, CHEBI:16523, EINECS 206-229-4, NSC 77689, AIDS071644, AIDS-071644

Molecular Formula: C3H7NO3Molecular Weight: 105.092580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-N

• D-Tryptophan
IUPAC Name: (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | CAS Registry Number: 153-94-6
Synonyms: (R)-Tryptophan, D-Trytophane, tryptophan, L-tryptophan, (+)-Tryptophan, D-TRYPTOPHANE, nchembio.150-comp45, TRP NH3+ COOH, MLS000069477, T9753_SIGMA, 93670_FLUKA, CHEBI:16296, EINECS 205-819-9, CID9060, NSC 97942, D-alpha-Amino-3-indolepropionic acid, SBB015044, NCGC00093372-02, SMR000059103, (R)-2-Amino-3-(3-indolyl)propionic acid

Molecular Formula: C11H12N2O2Molecular Weight: 204.225180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: QIVBCDIJIAJPQS-SECBINFHSA-N

• Dapiprazole
IUPAC Name: 3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine | CAS Registry Number: 72822-12-9
Synonyms: Glamidolo, Reversil, Dapiprazol [German], Dapiprazole [INN], DAPIRAZOLE, Dapirazol [INN-Spanish], Dapirazolum [INN-Latin], CHEBI:51066, C19H27N5, DB00298, LS-156734, 5,6,7,8-Tetrahydro-3-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-s-triazolo(4,3-a)pyridine, 1,2,4-Triazolo(4,3-a)pyridine, 5,6,7,8-tetrahydro-3-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-, 3-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-5,6,7,8,-tetrahydro-1,2,4-triazolo(4,3-a)pyridine hydrochloride, 3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,5-a]pyridine, 3-{2-[4-(2-methylphenyl)piperazin-1-yl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine, s-Triazolo(4,3-a)pyridine, 5,6,7,8-tetrahydro-3-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-,hydrochloride

Molecular Formula: C19H27N5Molecular Weight: 325.451180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: RFWZESUMWJKKRN-UHFFFAOYSA-N

• Darifenacin
IUPAC Name: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide | CAS Registry Number: 133099-07-7
Synonyms: Enablex, Emselex, Darifenacin hydrobromide, Enablex (TN), UK 88525-04 hydrobromide, CID444030, Darifenacin hydrobromide (JAN/USAN), UK-88525, LS-186532, UK-88525-04, D01699, 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (S)-, (S)-2-{1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide, 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (3S)-

Molecular Formula: C28H31BrN2O2Molecular Weight: 507.461940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UQAVIASOPREUIT-VQIWEWKSSA-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

• Eptifibatide
IUPAC Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid | CAS Registry Number: 188627-80-7
Synonyms: Integrelin, Integrilin, Intrifiban, DB00063, LS-182837, L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic (1-6)-disulfide, 148031-34-9, 157630-07-4, 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid, N(sup 6)-Amidino-N(sup 2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide

Molecular Formula: C35H49N11O9S2Molecular Weight: 831.961860 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 13

InChIKey: CZKPOZZJODAYPZ-UHFFFAOYSA-N

• Eptifibatide Acetate
IUPAC Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid | CAS Registry Number: 148031-34-9
Synonyms: Eptifibatide, Integrelin, Integrilin, Intrifiban, Ethoxyfen, CID123610, DB00063, LS-182837, I06-0351, L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic (1-6)-disulfide, 157630-07-4, 188627-80-7, 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid, N(sup 6)-Amidino-N(sup 2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide

Molecular Formula: C35H49N11O9S2Molecular Weight: 831.961860 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 12

InChIKey: CZKPOZZJODAYPZ-UHFFFAOYSA-N

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

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

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

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

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

InChIKey: OMDIKDVVYHAXGO-UHFFFAOYSA-N

• Esterification
IUPAC Name: butyloxonio(trifluoro)boranuide

Molecular Formula: C4H10BF3OMolecular Weight: 141.928 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JDQOMAIUNGVENK-UHFFFAOYSA-N

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

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

InChIKey: DWBGTJUQWKWYGB-UHFFFAOYSA-N

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

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

InChIKey: LMCZCCDXOZGIND-UHFFFAOYSA-N

• Ethyl 2-Chloro Acetoacetate
IUPAC Name: ethyl 2-chloro-3-oxobutanoate | CAS Registry Number: 609-15-4
Synonyms: Ethyl 2-chloroacetoacetate, Ethyl-2-chloracetoacetate, Ethyl 2-chloro-3-oxobutanoate, Ethyl alpha-chloroacetoacetate, 2-Cl-ACE, CCRIS 6889, E16902_ALDRICH, 2-Chloroacetoacetic acid ethyl ester, Ethyl .alpha.-chloroacetoacetate, 10895_FLUKA, 22811_FLUKA, Acetoacetic acid, 2-chloro-, ethyl ester, EINECS 210-180-4, 2-Chloro-3-oxobutyric acid ethyl ester, Butanoic acid, 2-chloro-3-oxo-, ethyl ester, NSC 78426, 2-Chloro-3-oxobutanoic acid, ethyl ester, NSC78426, ETHYL 2-CHLORO-3-OXO-BUTANOATE, LS-188170

Molecular Formula: C6H9ClO3Molecular Weight: 164.586860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RDULEYWUGKOCMR-UHFFFAOYSA-N

• Febuxostat
IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid | CAS Registry Number: 144060-53-7
Synonyms: Adenuric, Uloric, Febuxostat [USAN], Tei-6720, Tei 6720, TMX 67, TMX-67, Febuxostat (JAN/USAN/INN), C16H16N2O3S, CID134018, LS-173202, D01206, 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid, 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, TEI

Molecular Formula: C16H16N2O3SMolecular Weight: 316.374840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BQSJTQLCZDPROO-UHFFFAOYSA-N

• Flomoxef Sodium (CAS: 96647-03-9)
• Gefitinib
IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine | CAS Registry Number: 184475-35-2
Synonyms: Iressa, Irressat, Gefitini; Iressa, Gefitinib [USAN], Iressa (TN), nchembio866-comp14, nchembio.117-comp18, ZD1839, KBioSS_002241, Gefitinib (JAN/USAN/INN), ZD 1839, CCRIS 9011, STOCK6S-52331, CHEBI:49668, ZD-1839, CID123631, NSC715055, DB00317, NCGC00159455-02, NCGC00159455-03

Molecular Formula: C22H24ClFN4O3Molecular Weight: 446.902363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-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

• Gemcitabine Hydrochloride (CAS: 12111-03-9)
• Halogenation
• Hydrogenation
IUPAC Name: 4-[6-(3,4-dimethyloxolan-2-yl)-5-hydroxy-1,3-dioxan-4-yl]piperidine-2,6-dione

Molecular Formula: C15H23NO6Molecular Weight: 313.346220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XMPJGSXLAAQPMS-UHFFFAOYSA-N

• Hydrosilylation
• Hydroxyl Amine Ortho Sulphonic Acid
IUPAC Name: amino hydrogen sulfate | CAS Registry Number: 2950-43-8
Synonyms: Sulfoperamidic acid, Permonosulfamic acid, Amidosulfonic peracid, HAOS, Sulfamic acid N-oxide, Aminomonopersulfuric acid, Hydroxylamine-O-sulfonic acid, Hydroxylaminesulfonic acid, Amidoperoxymonosulfuric acid, Hydroxylamine-O-sulphonic acid, O-Hydroxylammonium sulfonate, CCRIS 1479, 213136_ALDRICH, 227978_ALDRICH, 480975_ALDRICH, EINECS 220-971-6, BB_SC-4662, AI3-61295, H111, LS-77472

Molecular Formula: H3NO4SMolecular Weight: 113.093120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DQPBABKTKYNPMH-UHFFFAOYSA-N

• Imatinib Mesylate
IUPAC Name: methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 220127-57-1
Synonyms: Imatinib mesylate, Gleevec, Glivec, Imatinib mesilate, Gleevac, Gleevec (TN), Glivec (TN), Imatinib Methansulfonate, imatinib methanesulfonate, Imatinib mesilate (JAN), sti-571, HSDB 7142, MLS001401456, STI571, CHEBI:31690, STI 571, CGP 57148B, GGP-57148B, CGP 53715, CGP-57148

Molecular Formula: C30H35N7O4SMolecular Weight: 589.708400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: YLMAHDNUQAMNNX-UHFFFAOYSA-N

• Intermediates-10 for Calcipotriol
IUPAC Name: (E,1S,4R)-4-[(1R,3aS,4E)-4-[(2E)-2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-ol | CAS Registry Number: 112849-27-1
Synonyms: CB-455

Molecular Formula: C39H68O3Si2Molecular Weight: 641.126420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DIMYHZDULFSWLS-HIKIKIINSA-N

• 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


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