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2D Structure
Also known as: Clopidogrel besilate, 744256-69-7, Bl9vgg8bhw, Clopidogrel benzenesulfonic acid salt, Clopidogrel benzenesulfonate, (s)-methyl-2-(2-chlorophenyl)-2-(6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)acetate methanesulfonate
Molecular Formula
C22H22ClNO5S2
Molecular Weight
480.0  g/mol
InChI Key
CUZIJKLLBDXNFV-RSAXXLAASA-N
FDA UNII
BL9VGG8BHW

A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzenesulfonic acid;methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
2.1.2 InChI
InChI=1S/C16H16ClNO2S.C6H6O3S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;7-10(8,9)6-4-2-1-3-5-6/h2-5,7,9,15H,6,8,10H2,1H3;1-5H,(H,7,8,9)/t15-;/m0./s1
2.1.3 InChI Key
CUZIJKLLBDXNFV-RSAXXLAASA-N
2.1.4 Canonical SMILES
COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.C1=CC=C(C=C1)S(=O)(=O)O
2.1.5 Isomeric SMILES
COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.C1=CC=C(C=C1)S(=O)(=O)O
2.2 Other Identifiers
2.2.1 UNII
BL9VGG8BHW
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Clopidogrel

2. Clopidogrel Besilate

3. Clopidogrel Bisulfate

4. Clopidogrel Hydrochloride

5. Clopidogrel Mepha

6. Clopidogrel Napadisilate

7. Clopidogrel Sandoz

8. Clopidogrel, (+)(s)-isomer

9. Clopidogrel-mepha

10. Iscover

11. Pcr 4099

12. Pcr-4099

13. Plavix

14. Sc 25989c

15. Sc 25990c

16. Sr 25989

2.3.2 Depositor-Supplied Synonyms

1. Clopidogrel Besilate

2. 744256-69-7

3. Bl9vgg8bhw

4. Clopidogrel Benzenesulfonic Acid Salt

5. Clopidogrel Benzenesulfonate

6. (s)-methyl-2-(2-chlorophenyl)-2-(6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)acetate Methanesulfonate

7. Benzenesulfonic Acid;methyl (2s)-2-(2-chlorophenyl)-2-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)acetate

8. (s)-methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetate Benzenesulfonate

9. Thieno(3,2-c)pyridine-5(4h)-acetic Acid, Alpha-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (alphas)-, Benzenesulfonate (1:1)

10. Thieno[3,2-c]pyridine-5(4h)-acetic Acid, Alpha-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (alphas)-, Benzenesulfonate (1:1)

11. Unii-bl9vgg8bhw

12. Grepid

13. Schembl365641

14. Clopidogrel Acino Pharma

15. Dtxsid30225441

16. Clopidogrel Acino Pharma Gmbh

17. Clopidogrel Besylate [who-dd]

18. Akos026751491

19. Clopidogrel Besilate [ema Epar]

20. Thieno(3,2-c)pyridine-5(4h)-acetic Acid, Alpha-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (alphas)-, Benzenesulfonate

21. Clopidogrel Besilate [ep Monograph]

22. D10824

23. Q27274743

24. Thieno(3,2-c)pyridine-5(4h)-acetic Acid, .alpha.-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (.alpha.s)-, Benzenesulfonate

25. Thieno(3,2-c)pyridine-5(4h)-acetic Acid, .alpha.-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (.alpha.s)-, Benzenesulfonate (1:1)

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 480.0 g/mol
Molecular Formula C22H22ClNO5S2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass479.0627928 g/mol
Monoisotopic Mass479.0627928 g/mol
Topological Polar Surface Area121 Ų
Heavy Atom Count31
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Platelet Aggregation Inhibitors

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)


Purinergic P2Y Receptor Antagonists

Compounds that bind to and block the stimulation of PURINERGIC P2Y RECEPTORS. Included under this heading are antagonists for specific P2Y receptor subtypes. (See all compounds classified as Purinergic P2Y Receptor Antagonists.)