2,3,5,10,11,11alpha-Hexahydro-9-Hydroxy-8-Methyl-5-Oxo-1H-Pyrrolo(2,1-c)(1,4)Benzodiazepine-2-Propionamide
[CAS# 5550-39-0]

Identification

• Name: 2,3,5,10,11,11alpha-Hexahydro-9-Hydroxy-8-Methyl-5-Oxo-1H-Pyrrolo(2,1-c)(1,4)Benzodiazepine-2-Propionamide
• Synonyms: 3-(4-Hydroxy-11-Keto-3-Methyl-5,6,6A,7,8,9-Hexahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)Propionamide; 1H-Pyrrolo(2,1-C)(1,4)Benzodiazepine-2-Propionamide, 2,3,5,10,11,11A-Hexahydro-9-Hydroxy-8-Methyl-5-Oxo-; 2,3,5,10,11,11A-Hexahydro-9-Hydroxy-8-Methyl-5-Oxo-1H-Pyrrolo(2,1-C)(1,4)Benzodiazepine-2-Propionamide
• Molecular Formula: C₁₆H₂₁N₃O₃
• Molecular Weight: 303.36
• CAS Registry Number: 5550-39-0
• SMILES: C3=C2C(=O)N1C(CC(C1)CCC(=O)N)CNC2=C(O)C(=C3)C
• InChI: 1S/C16H21N3O3/c1-9-2-4-12-14(15(9)21)18-7-11-6-10(3-5-13(17)20)8-19(11)16(12)22/h2,4,10-11,18,21H,3,5-8H2,1H3,(H2,17,20)
• InChIKey: ISVASKMGGXBTNC-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 625.734°C at 760 mmHg (Cal.)
• Flash point: 332.232°C (Cal.)