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Also known as: 1314081-53-2, 8a63k3tn0u, Methyl (2s)-2-(2-acetyloxy-6,7-dihydro-4h-thieno(3,2-c)pyridin-5-yl)-2-(2-chlorophenyl)acetate, Methyl (s)-2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)-2-(2-chlorophenyl)acetate, Unii-8a63k3tn0u, Chembl2042273

Molecular Formula

C₁₈H₁₈ClNO₄S

Molecular Weight

379.9 g/mol

InChI Key

GNHHCBSBCDGWND-KRWDZBQOSA-N

FDA UNII

8A63K3TN0U

Vicagrel is under investigation in clinical trial NCT03599284 (The Efficacy, Safety and Pharmacokinetic of Antiplatelet Therapy for Vicagrel).

1 2D Structure

Vicagrel

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C18H18ClNO4S/c1-11(21)24-16-9-12-10-20(8-7-15(12)25-16)17(18(22)23-2)13-5-3-4-6-14(13)19/h3-6,9,17H,7-8,10H2,1-2H3/t17-/m0/s1

2.1.3 InChI Key

GNHHCBSBCDGWND-KRWDZBQOSA-N

2.1.4 Canonical SMILES

CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3Cl)C(=O)OC

2.1.5 Isomeric SMILES

CC(=O)OC1=CC2=C(S1)CCN(C2)[C@@H](C3=CC=CC=C3Cl)C(=O)OC

2.2 Other Identifiers

2.2.1 UNII

8A63K3TN0U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Methyl 2-(2-acetoxy-6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)-2-(2-chlorophenyl)acetate

2.3.2 Depositor-Supplied Synonyms

1. 1314081-53-2

2. 8a63k3tn0u

3. Methyl (2s)-2-(2-acetyloxy-6,7-dihydro-4h-thieno(3,2-c)pyridin-5-yl)-2-(2-chlorophenyl)acetate

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

5. Unii-8a63k3tn0u

6. Chembl2042273

7. Schembl12438770

8. Gnhhcbsbcdgwnd-krwdzbqosa-n

9. Ex-a7319

10. Akos040742815

11. Ms-26207

12. Hy-118284

13. Cs-0065604

14. (s)-2-(2-acetoxy-6,7-dihydrothieno(3,2-c)pyridine-5(4h)-yl)-2-(2-chlorophenyl)acetic Acid Methyl Ester

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

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

17. Thieno(3,2-c)pyridine-5(4h)-acetic Acid, 2-(acetyloxy)-alpha-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (alphas)-

2.4 Create Date

2011-10-11

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₈ClNO₄S
Molecular Weight	379.9 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	84.1
Heavy Atom Count	25
Formal Charge	0
Complexity	506
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	1