Clocapramine
[CAS# 47739-98-0]

Identification

• Name: Clocapramine
• Synonyms: 1-[3-(9-Chloro-5,6-Dihydrobenzo[B][1]Benzazepin-11-Yl)Propyl]-4-Piperidin-1-Ium-1-Yl-Piperidin-1-Ium-4-Carboxamide Dichloride; 1-[3-(9-Chloro-5,6-Dihydrobenzo[B][1]Benzazepin-11-Yl)Propyl]-4-(1-Piperidin-1-Iumyl)-4-Piperidin-1-Iumcarboxamide Dichloride; (1,4'-Bipiperidine)-4'-Carboxamide, 1'-(3-(10,11-Dihydro-3-Chloro-5H-Dibenz(B,F)
• Molecular Formula: C₂₈H₃₉Cl₃N₄O
• Molecular Weight: 554.00
• CAS Registry Number: 47739-98-0 (28058-62-0)
• SMILES: C1=C(Cl)C=CC2=C1N(C3=C(CC2)C=CC=C3)CCC[NH+]5CCC([NH+]4CCCCC4)(C(=O)N)CC5.[Cl-].[Cl-]
• InChI: 1S/C28H37ClN4O.2ClH/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H
• InChIKey: UUTRFZNTTSPNOY-UHFFFAOYSA-N

Properties

• Boiling point: 662.1°C at 760 mmHg (Cal.)
• Flash point: 354.2°C (Cal.)