Methyl (2-Chlorophenyl)(2-Oxo-2,6,7,7alpha-Tetrahydrothieno[3,2-c]Pyridin-5(4H)-Yl)Acetate
[CAS# 109904-27-0]

Identification

• Name: Methyl (2-Chlorophenyl)(2-Oxo-2,6,7,7alpha-Tetrahydrothieno[3,2-c]Pyridin-5(4H)-Yl)Acetate
• Synonyms: 2-Oxo-clopidogrel; methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
• Molecular Formula: C₁₆H₁₆ClNO₃S
• Molecular Weight: 337.82
• CAS Registry Number: 109904-27-0
• SMILES: Clc1ccccc1C(N2CCC3SC(=O)/C=C3/C2)C(=O)OC
• InChI: 1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3
• InChIKey: JBSAZVIMJUOBNB-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 488.085°C at 760 mmHg (Cal.)
• Flash point: 248.985°C (Cal.)
• Refractive index: 1.639 (Cal.)