(R)-Clopidogrel bisulfate

C₁₆H₁₈ClNO₆S₂CAS 120202-71-3419.89 g/mol

Open in Covalent MOL file

Aryl halide Ester Tertiary amine

Properties

Molecular formula: C₁₆H₁₈ClNO₆S₂
Molar mass: 419.89 g/mol
Exact mass: 419.0264 Da
logP: 3.02Crippen estimate
Polar surface area: 104.1 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

120202-71-3

SMILES

COC(=O)[C@@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O

InChIKey

FDEODCTUSIWGLK-XFULWGLBSA-N

InChI

InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m1./s1

Weigh it out

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

Names and synonyms

5 names

Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αR)-, sulfate (1:1)
SR 25989C
(R)-(-)-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate bisulfate
(R)-(-)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate hydrogen sulfate
(R)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate sulfate

Work with (R)-Clopidogrel bisulfate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Clopidogrel113665-84-2Free base, enantiomer Clopidogrel bisulfate120202-66-6Enantiomer (+-)-Clopidogrel bisulfate135046-48-9Stereo not defined Clopidogrel (-)-(1R)-camphor-10 sulfonate120202-68-8Salt, enantiomer

Similar compounds

Ticlopidine55142-85-341 % similar Methyl (2S)-2-(2-chlorophenyl)-2-((2-(thiophen-2-YL)ethyl)amino)acetate hydrochloride141109-19-540 % similar Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate141109-14-039 % similar Methyl (2R)-2-amino-2-(2-chlorophenyl)acetate141109-16-239 % similar Methyl α-bromo-2-chlorobenzeneacetate85259-19-439 % similar Ticlopidine hydrochloride53885-35-139 % similar Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)141109-15-136 % similar Prasugrel150322-43-333 % similar

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

Elsewhere

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