(6S,6aS,8S)-8-Hydroxy-6-Methoxy-5,6,6a,7,8,9-Hexahydropyrrolo[2,1-c][1,4]Benzodiazepin-11-One
[CAS# 108073-64-9]

Identification

• Name: (6S,6aS,8S)-8-Hydroxy-6-Methoxy-5,6,6a,7,8,9-Hexahydropyrrolo[2,1-c][1,4]Benzodiazepin-11-One
• Synonyms: 5H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-5-One, 1,2,3,10,11,11A-Hexahydro-2-Hydroxy-11-Methoxy-, (2S-(2-Alpha,11-Beta,11A-Beta))-; Abbeymycin
• Molecular Formula: C₁₃H₁₆N₂O₃
• Molecular Weight: 248.28
• CAS Registry Number: 108073-64-9
• SMILES: [C@@H]23N(C(=O)C1=CC=CC=C1N[C@H]2OC)C[C@@H](O)C3
• InChI: 1S/C13H16N2O3/c1-18-12-11-6-8(16)7-15(11)13(17)9-4-2-3-5-10(9)14-12/h2-5,8,11-12,14,16H,6-7H2,1H3/t8-,11-,12-/m0/s1
• InChIKey: SSMFXCDUJJPFBJ-UWJYBYFXSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 477.54°C at 760 mmHg (Cal.)
• Flash point: 242.608°C (Cal.)