Clorotepine
[CAS# 13448-22-1]

Identification

• Name: Clorotepine
• Synonyms: But-2-Enedioic Acid; 1-(2-Chloro-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-4-Methyl-Piperazine; 8-Chloro-10-(4-Methylpiperazino)-10,11-Dihydrodibenzo(B,F)Thiepin Maleate; Octoclothepine Maleate
• Molecular Formula: C₂₃H₂₅ClN₂O₄S
• Molecular Weight: 460.97
• CAS Registry Number: 13448-22-1
• SMILES: C1=CC=CC3=C1C(N2CCN(CC2)C)CC4=C(S3)C=C(Cl)C=C4.O=C(O)\C=C/C(=O)O
• InChI: 1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-6-7-15(20)13-19(14)23-18-5-3-2-4-16(17)18;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: HORGSUVZMVDUGW-BTJKTKAUSA-N

Properties

• Boiling point: 436.9°C at 760 mmHg (Cal.)
• Flash point: 218°C (Cal.)