AG00099Q

113665-84-2 | Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αS)-

AG00099Q

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CAS Number	113665-84-2
Catalog Number	AG00099Q(AGN-PC-0P56S4)
Chemical Name	Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αS)-
IUPAC Name	methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
InChI	InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
InChI Key	GKTWGGQPFAXNFI-HNNXBMFYSA-N
MDL Number	MFCD05662337
Molecular Formula	C16H16ClNO2S
Molecular Weight	321.8217
NSC Number	748298
SMILES	ClC1=C(C=CC=C1)[C@@H](C(=O)OC)N1CC2=C(CC1)SC=C2
UNII	A74586SNO7
Synonyms	clopidogrel, clopidogrel besilate, clopidogrel besylate, clopidogrel bisulfate, clopidogrel hydrochloride, Clopidogrel Mepha, clopidogrel napadisilate, clopidogrel Sandoz, clopidogrel, (+)(S)-isomer, clopidogrel-Mepha, Iscover, PCR 4099, PCR-4099, Plavix, SC 25989C, SC 25990C, SR 25989, clopidogrel, 113665-84-2, (S)-Clopidogrel, Plavix, (+)-(S)-Clopidogrel, Clopidogrel [INN:BAN], (+)-Clopidogrel, UNII-A74586SNO7, HSDB 7430, CLOPIDOGREL SULFATE, CHEBI:37941, GKTWGGQPFAXNFI-HNNXBMFYSA-N, A74586SNO7, CPD000550475, Zyllt, Clopidogrel (TN), Plavix (TN), SR-25990C, methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate, Clopidogrelum, Thrombo, Clopidogrel BMS, Clopidogrel Acino, Clopidogrel Hexal, (S)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate, CHEMBL1083385, Methyl (+)-(S)-alpha-(o-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate, methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate, (+)-(S)-Methyl 2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c ] pyridin-5-yl) acetate monosulfate, SMR000550475, Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-, Clopidogrel Winthrop, Clopidogrel 1A Pharma, Clopidogrel [BAN:INN], 120202-66-6, Clopidogrel ratiopharm GmbH, Isocover, Plavix&reg, (+) clopidogrel, CGE, Clopidogrel Teva (hydrogen sulphate), Spectrum_000105, SR 25990, AC1L1TKZ, Clopidogrel (USP/INN), Spectrum2_000512, Spectrum3_001606, Spectrum4_000175, SCHEMBL4769, CHEMBL1771, BSPBio_003211, KBioGR_000689, KBioSS_000545, MLS001165708, MLS001195633, MLS001304711, MLS006011891, BIDD:GT0284, clopidogrel, (+)(S)-isomer, DivK1c_000787, R 130964, SPBio_000463, AC1Q41I9, GTPL7150, DTXSID6022848, CTK6I6432, HMS502H09, KBio1_000787, KBio2_000545, KBio2_003113, KBio2_005681, KBio3_002431, methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate, NINDS_000787, HMS2090O21, HMS2234N16, HMS3259B08, HMS3715J08, Clopidogrel USP Related Compound A, KS-00000K9F, BBL010770, BDBM50318910, BDBM50397662, CC0015, MFCD00866627, MFCD05662337, NSC748298, STK580572, ZINC34781704, AKOS005504280, API0002073, CCG-221243, CS-0656, DB00758, MCULE-9061369538, NC00703, NSC-748298, IDI1_000787, methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate, NCGC00163329-02, NCGC00163329-04, AC-19024, AJ-90179, DS-13362, HY-15283, SAM002589956, SBI-0052755.P002, AB1011824, LS-172232, RT-012071, TL8000400, FT-0602596, D07729, W-5322, AB00053786-07, AB00053786-08, AB00053786_09, AB00053786_10, BRD-K27721098-065-02-9, BRD-K27721098-065-05-2, methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate, (S)-(+)-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate, (S)-(+)-Methyl (2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate, methyl (+)-(S)-alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate, methyl (+)-(s)-alpha-(o-chlorophenyl)-6,7-dihydrothieno-[3,2-c]pyridine-5(4h)-acetate, Methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate (H2SO4), methyl (S)-(+)-alpha-(o-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-acetate, methyl (S)-2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate, methyl(+)-(s)-alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4h) acetate, methyl-(S)-(+)-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-yl)-acetate, (+)-(S)-(2-Chlorophenyl) (6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester, (+)-(S)-2-(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetic acid methyl ester, (S)-METHYL 2-(2-CHLOROPHENYL)-2-(6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H)-YL)ACETATE, Iscover; Plavix; methyl (S)-2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate; clopidogrel; 2-(2-chlorphenyl)-2-(2,4,5,6,7,7a-hexahydrothieno[3, 2c]pyridine-5yl)-acetic acid methylester hydrogen sulfate, Thieno[3,2-c]pyridine-5(4H)-acetic acid, .alpha.-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (.alpha.S)-, Thieno[3,2-c]pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (alphaS)-, Iscover, clopidogrel HCl, Clopidogrel bisulfate, Clopidogrel HCS, Clopidogrel besilate, Clopidogrel hydrobromide, Clopidogrel bisulphate, Clopidogrel hydrochloride, Clopidogrel impurity A, D0N0TZ, C16H16ClNO2S, clopidogrel hydrogen sulphate, Clopidogrel (captisol-enabled), C16-H16-Cl-N-O2-S, CID60606, SR25990C, PM-103, ACN-048231, CS-O-15507, 1705B, Clopidogrel (captisol-enabled), The Medicines Co, 90055-48-4, Clopidogrel (captisol-enabled, cardiovascular disease), Cydex, 144750-42-5, Clopidogrel (captisol-enabled, cardiovascular disease), Prism Pharmaceuticals, methyl (+)-(S)alpha-(o-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate, (alpha S)-alpha-(2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetic acid methyl ester,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	321.059g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	321.819g/mol
Monoisotopic Mass	321.059g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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