Methyl 2-(2-Chlorophenyl)-2-(9-Thia-4-Azabicyclo[4.3.0]Nona-7,10-Dien-4-Yl)Acetate
[CAS# 94188-84-8]

Identification

• Name: Methyl 2-(2-Chlorophenyl)-2-(9-Thia-4-Azabicyclo[4.3.0]Nona-7,10-Dien-4-Yl)Acetate
• Synonyms: 2-(2-Chlorophenyl)-2-(6,7-Dihydro-4H-Thieno[3,2-C]Pyridin-5-Yl)Acetic Acid Methyl Ester; Methyl 2-(2-Chlorophenyl)-2-(6,7-Dihydro-4H-Thieno[3,2-C]Pyridin-5-Yl)Ethanoate; ( -)-Clopidogrel
• Molecular Formula: C₁₆H₁₆ClNO₂S
• Molecular Weight: 321.82
• CAS Registry Number: 94188-84-8
• SMILES: C3=C(C(N2CC1=C(SC=C1)CC2)C(OC)=O)C(=CC=C3)Cl
• InChI: 1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3
• InChIKey: GKTWGGQPFAXNFI-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 423.693°C at 760 mmHg (Cal.)
• Flash point: 210.042°C (Cal.)