Cloflumide
[CAS# 104821-37-6]

Identification

• Name: Cloflumide
• Synonyms: 3-[4-(3-Chloro-9-Fluoro-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-1-Piperazinyl]Propanamide; Methanesulfonic Acid; 3-[4-(3-Chloro-9-Fluoro-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)Piperazin-1-Yl]Propionamide; Methanesulfonic Acid; 1-Piperazinepropanamide, 4-(2-Chloro-10,11-Dihydro-7-Fluorodibenzo(B,F)Thiepin-10-Yl)-, Monomethanesulfonate
• Molecular Formula: C₂₂H₂₇ClFN₃O₄S₂
• Molecular Weight: 516.04
• CAS Registry Number: 104821-37-6
• SMILES: C1=CC(=CC3=C1C(N2CCN(CC2)CCC(=O)N)CC4=C(S3)C=CC(=C4)Cl)F.C[S](=O)(=O)O
• InChI: 1S/C21H23ClFN3OS.CH4O3S/c22-15-1-4-19-14(11-15)12-18(17-3-2-16(23)13-20(17)28-19)26-9-7-25(8-10-26)6-5-21(24)27;1-5(2,3)4/h1-4,11,13,18H,5-10,12H2,(H2,24,27);1H3,(H,2,3,4)
• InChIKey: XULDEFSMTYYRCB-UHFFFAOYSA-N

Properties

• Boiling point: 579.4°C at 760 mmHg (Cal.)
• Flash point: 304.2°C (Cal.)