(E)-3-[(6R)-4,6-Dimethoxy-11-Oxo-5,6,6a,7-Tetrahydropyrrolo[5,1-c][1,4]Benzodiazepin-8-Yl]-N,N-Dimethylprop-2-Enamide
[CAS# 110652-72-7]

Identification

• Name: (E)-3-[(6R)-4,6-Dimethoxy-11-Oxo-5,6,6a,7-Tetrahydropyrrolo[5,1-c][1,4]Benzodiazepin-8-Yl]-N,N-Dimethylprop-2-Enamide
• Synonyms: (E)-3-[(6R)-4,6-Dimethoxy-11-Oxo-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl]-N,N-Dimethyl-Prop-2-Enamide; (E)-3-[(6R)-11-Keto-4,6-Dimethoxy-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl]-N,N-Dimethyl-Acrylamide; 2-Propenamide, N,N-Dimethyl-3-(5,10,11,11A-Tetrahydro-9,11-Dimethoxy-5-Oxo-1H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-2-Yl)-, (11R-(2(E),11-Alpha,11A-Beta))-
• Molecular Formula: C₁₉H₂₃N₃O₄
• Molecular Weight: 357.41
• CAS Registry Number: 110652-72-7
• SMILES: [C@H]2(OC)NC1=C(OC)C=CC=C1C(=O)N3C2CC(=C3)\C=C\C(=O)N(C)C
• InChI: 1S/C19H23N3O4/c1-21(2)16(23)9-8-12-10-14-18(26-4)20-17-13(19(24)22(14)11-12)6-5-7-15(17)25-3/h5-9,11,14,18,20H,10H2,1-4H3/b9-8+/t14?,18-/m1/s1
• InChIKey: XCFSBOSFMAOQAL-VOVBJCLESA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 599.916°C at 760 mmHg (Cal.)
• Flash point: 316.618°C (Cal.)