chempirical

Clopidogrel

C16H16ClNO2SCAS 113665-84-2321.82 g/mol

Open in Covalent MOL file
OOClNS
Aryl halideEsterTertiary amine

Properties

Molecular formula
C16H16ClNO2S
Molar mass
321.82 g/mol
Exact mass
321.0590 Da
logP
3.67Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
113665-84-2
SMILES
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
InChIKey
GKTWGGQPFAXNFI-HNNXBMFYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αS)-
  • Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-
  • (S)-(+)-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate
  • (S)-Methyl α-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)-α-(o-chlorophenyl)acetate
  • SR 25990
  • (S)-Clopidogrel
  • (+)-(S)-Clopidogrel
  • Methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate
  • R 130964
  • Thrombo

Work with Clopidogrel

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Clopidogrel bisulfate120202-66-686 % similar (R)-Clopidogrel bisulfate120202-71-386 % similar (±)-Clopidogrel bisulfate135046-48-986 % similar Clopidogrel (-)-(1R)-camphor-10 sulfonate120202-68-864 % similar Ticlopidine55142-85-346 % similar (+)-(S)-Methyl α-[[2-(2-thienyl)ethyl]amino]-α-(2-chlorophenyl)acetate hydrochloride141109-19-545 % similar Methyl (αS)-α-amino-2-chlorobenzeneacetate141109-14-045 % similar Methyl (αR)-α-amino-2-chlorobenzeneacetate141109-16-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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