Responsive image

Common name


Clopidogrel

IUPAC name


methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate

SMILES


[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl

Compound class


Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Purinergic P2Y Receptor Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors;

Therapeutic area


For the reduction of atherosclerotic events (myocardial infarction, stroke, and vascular death) in patients with atherosclerosis documented by recent stroke, recent myocardial infarction, or established peripheral arterial disease.

Common name


Clopidogrel

IUPAC name


methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate

SMILES


[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl

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

FORMULA


C16H16ClNO2S

Responsive image

Common name


Clopidogrel

IUPAC name


methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate

Molecular weight


321.822

clogP


4.622

clogS


-4.161

HBond Acceptor


3

HBond Donor


0

Total Polar
Surface Area


57.78

Number of Rings


3

Rotatable Bond


4

Drug ID Common name Structure CAS SMILE Frequency
FDBF00016 chlorobenzene Responsive image c1ccc(cc1)Cl 0.0718
FDBF00101 methyl acetate Responsive image O(C(=O)C)C 0.0151
FDBF00105 methyl formate Responsive image O(C=O)C 0.0323
FDBF00302 1-chloro-2-methyl-benzene Responsive image Clc1c(cccc1)C 0.0062
FDBF01742 methyl 2-(2-chlorophenyl)acetate Responsive image O(C(=O)Cc1c(cccc1)Cl)C 0.0003
5 , 1