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Clopidogrel Besylate

Clopidogrel Besylate

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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

Clopidogrel Besylate

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 Formula	C₂₂H₂₂ClNO₅S₂
Molecular Weight	480.0 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	479.0627928 g/mol
Monoisotopic Mass	479.0627928 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	565
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)