Tiopinac
[CAS# 61220-69-7]

Identification

• Name: Tiopinac
• Synonyms: Sodium 2-(11-Keto-6H-Benzo[C][2]Benzothiepin-3-Yl)Acetate; Sodium 2-(11-Oxo-6H-Benzo[C][2]Benzothiepin-3-Yl)Ethanoate; Dibenzo(B,E)Thiepin-3-Acetic Acid, 6,11-Dihydro-11-Oxo-, Sodium Salt
• Molecular Formula: C₁₆H₁₁NaO₃S
• Molecular Weight: 306.31
• CAS Registry Number: 61220-69-7
• SMILES: C3=C2SCC1=CC=CC=C1C(=O)C2=CC=C3CC([O-])=O.[Na+]
• InChI: 1S/C16H12O3S.Na/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19;/h1-7H,8-9H2,(H,17,18);/q;+1/p-1
• InChIKey: JSBMKFUICOYQJG-UHFFFAOYSA-M

Properties

• Boiling point: 541.3°C at 760 mmHg (Cal.)
• Flash point: 281.1°C (Cal.)