(+)-N-Methyl-3-(5,10,11,11alpha-Tetrahydro-9-Hydroxy-11-Methoxy-8-Methyl-5-Oxo-1H-Pyrrolo[2,1-c][1,4]Benzodiazepine-2-Yl)Propenamide
[CAS# 68373-95-5]

Identification

• Name: (+)-N-Methyl-3-(5,10,11,11alpha-Tetrahydro-9-Hydroxy-11-Methoxy-8-Methyl-5-Oxo-1H-Pyrrolo[2,1-c][1,4]Benzodiazepine-2-Yl)Propenamide
• Synonyms: 3-(4-Hydroxy-6-Methoxy-3-Methyl-11-Oxo-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)-N-Methylprop-2-Enamide; (E)-3-(4-Hydroxy-6-Methoxy-3-Methyl-11-Oxo-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)-N-Methyl-Prop-2-Enamide; 3-(4-Hydroxy-6-Methoxy-3-Methyl-11-Oxo-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)-N-Methyl-Prop-2-Enamide
• Molecular Formula: C₁₈H₂₁N₃O₄
• Molecular Weight: 343.38
• CAS Registry Number: 68373-95-5
• SMILES: C2=C1C(=O)N3C(C(OC)NC1=C(O)C(=C2)C)CC(=C3)\C=C\C(=O)NC
• InChI: 1S/C18H21N3O4/c1-10-4-6-12-15(16(10)23)20-17(25-3)13-8-11(5-7-14(22)19-2)9-21(13)18(12)24/h4-7,9,13,17,20,23H,8H2,1-3H3,(H,19,22)/b7-5+
• InChIKey: DBZISAXLVWRHPS-FNORWQNLSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 631.86°C at 760 mmHg (Cal.)
• Flash point: 335.937°C (Cal.)