1,2,6,7-Tetrahydro-7-((Dimethylamino)Acetyl)-6-(2-Phenylethyl)-Benzo(b)Pyrrolo(3,2,1-jk)(1,4)Benzodiazepine Ethanedioate (1:1)
[CAS# 75643-16-2]

Identification

• Name: 1,2,6,7-Tetrahydro-7-((Dimethylamino)Acetyl)-6-(2-Phenylethyl)-Benzo(b)Pyrrolo(3,2,1-jk)(1,4)Benzodiazepine Ethanedioate (1:1)
• Molecular Formula: C₂₉H₃₁N₃O₅
• Molecular Weight: 501.58
• CAS Registry Number: 75643-16-2
• SMILES: C5=C3C1=C(CCN1C2=CC=CC=C2N(C3CCC4=CC=CC=C4)C(=O)CN(C)C)C=C5.O=C(O)C(=O)O
• InChI: 1S/C27H29N3O.C2H2O4/c1-28(2)19-26(31)30-23(16-15-20-9-4-3-5-10-20)22-12-8-11-21-17-18-29(27(21)22)24-13-6-7-14-25(24)30;3-1(4)2(5)6/h3-14,23H,15-19H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: JALHEKCYLOVNBA-UHFFFAOYSA-N

Properties

• Boiling point: 599.1°C at 760 mmHg (Cal.)
• Flash point: 257.4°C (Cal.)