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2D Structure
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

2D Structure

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 Weight 379.9 g/mol
Molecular Formula C18H18ClNO4S
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area84.1
Heavy Atom Count25
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1