Basic information
- Standard SMILES
COC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1- InChIKey
GKTWGGQPFAXNFI-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO2S
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.0590276
Names & identifiers
- Preferred name
- (RS)-Clopidogrel
- IUPAC
- methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
- English name
- (+/-)-Clopidogrel hydrochloride
- Molecular formula
- C16H16ClNO2S
- Molecular weight
- 321.82
Names & synonyms
90055-48-4(RS)-CLOPIDOGRELMX75HY8K68Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl esterRefChem:1051125CLOPIDOGREL, (A+-)-(+/-)-clopidogrelmethyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetatemethyl 2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetatemethyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetateClopidogrelum [Latin]Clopidogrel Bisulfate Racemate
Show more names
(±)-ClopidogrelS-Clopidogrel hydrochlorideClopidogrel, racemic mixtureClopidogrel hydrochloride CRS(±)-Clopidogrel (hydrochloride)(+/-)-Clopidogrel hydrochlorideRacemic Clopidogrel Hydrochloridemethyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanoate
racemic Clopidogrel(+-)-ClopidogrelNCGC00159321-02( inverted exclamation markA)-Clopidogrel hydrochlorideRAC-CLOPIDOGRELrac-Clopidogrel, >98%UNII-MX75HY8K6894188-84-8
Database identifiers
- CAS
90055-48-4- PubChem CID
- 2806
- DTXSID
DTXSID70861221- ChEMBL
CHEMBL1333662- ChEBI
CHEBI:103977- UNII
- MX75HY8K68
- Nikkaji
- J22.957A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 423.7 · 423.7±45.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Desiccate at +4°C
- pka
- 4.56 · 4.56±0.20(Predicted)
- FDA UNII
- 75 HY8K68 · MX75HY8K68
Chemistry & industry
Suppliers22 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Aladdin Scientific[email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Additional notes
DefinitionChEBI: 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester is an alpha-amino acid ester.
Related reactions
37 records
Linked notes
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