CAS 144750-52-7

Chemistry, 2 End Use API, 23 Related Intermediates

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Also known as: 144750-52-7, Clopidogrel related compound b, Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4h-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride, Alpha-(2-chlorophenyl)-4,7-dihydro-thieno[2,3-c]pyridine-6(5h)-acetic acid methyl ester hcl, Rac-clopidogrel hydrochloride, Dtxsid80675775

Molecular Formula

C₁₆H₁₇Cl₂NO₂S

Molecular Weight

358.3 g/mol

InChI Key

SYAKRIYLSOOCKW-UHFFFAOYSA-N

1 2D Structure

CAS 144750-52-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride

2.1.2 InChI

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

2.1.3 InChI Key

SYAKRIYLSOOCKW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)SC=C3.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 144750-52-7

2. Clopidogrel Related Compound B

3. Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4h-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride

4. Alpha-(2-chlorophenyl)-4,7-dihydro-thieno[2,3-c]pyridine-6(5h)-acetic Acid Methyl Ester Hcl

5. Rac-clopidogrel Hydrochloride

6. Dtxsid80675775

7. Mfcd22375692

8. Sc1416

9. Akos024464097

10. Cs-w011830

11. Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridine-6(7h)-yl)acetate Hydrochloride

12. Ac-24407

13. As-74895

14. Ft-0665129

15. A884756

16. J-008005

17. Clopidogrel Related Compound B, United States Pharmacopeia (usp) Reference Standard

18. Methyl (2rs)-(o-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridine-6(7h)-acetate Hydrochloride

19. Methyl 2-(2-chlorophenyl)-2-{4h,5h,6h,7h-thieno[2,3-c]pyridin-6-yl}acetate Hydrochloride

20. Methyl2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7h)-yl)acetatehydrochloride

21. A-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5h)-acetic Acid Methyl Ester Hydrochloride

22. Methyl (2-chlorophenyl)(4,7-dihydrothieno[2,3-c]pyridin-6(5h)-yl)acetate--hydrogen Chloride (1/1)

23. Methyl (2rs)-(2-chlorophenyl)[4,7-dihydrothieno[2,3-c]pyridin-6(5h)-yl]acetate Hydrochloride

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

2.3 Create Date

2010-07-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇Cl₂NO₂S
Molecular Weight	358.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	357.0357053 g/mol
Monoisotopic Mass	357.0357053 g/mol
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2