4,5-Didehydroisocarbacyclin
[CAS# 98676-80-3]

Identification

• Name: 4,5-Didehydroisocarbacyclin
• Synonyms: 1'-[3-(5,6-Dihydrobenzo[B][1]Benzazepin-11-Yl)Propyl]-2-Spiro[1,5,6,7,8,8A-Hexahydroimidazo[1,2-A]Pyridine-3,4'-Piperidine]One Dihydrochloride; 4,5-Ddhica; 4,5-Didehydroisocarbacyclin
• Molecular Formula: C₂₈H₃₈Cl₂N₄O
• Molecular Weight: 517.54
• CAS Registry Number: 98676-80-3
• SMILES: N5C6N(C1(CCN(CC1)CCCN3C2=CC=CC=C2CCC4=CC=CC=C34)C5=O)CCCC6.[H+].[H+].[Cl-].[Cl-]
• InChI: 1S/C28H36N4O.2ClH/c33-27-28(32-19-6-5-12-26(32)29-27)15-20-30(21-16-28)17-7-18-31-24-10-3-1-8-22(24)13-14-23-9-2-4-11-25(23)31;;/h1-4,8-11,26H,5-7,12-21H2,(H,29,33);2*1H
• InChIKey: LDMDSECWAIHBNX-UHFFFAOYSA-N

Properties

• Boiling point: 655°C at 760 mmHg (Cal.)
• Flash point: 349.9°C (Cal.)