(11aS)-7-Methoxy-8-Hydroxy-2,3,5,11ab-Tetrahydro-1H-Pyrrolo[2,1-c][1,4]Benzodiazepine-5-One
[CAS# 81307-24-6]

Identification

• Name: (11aS)-7-Methoxy-8-Hydroxy-2,3,5,11ab-Tetrahydro-1H-Pyrrolo[2,1-c][1,4]Benzodiazepine-5-One
• Synonyms: (+)-1,2,3,11A-Tetrahydro-8-Hydroxy-7-Methoxy-5H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-5-One; 5H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-5-One, 1,2,3,11A-Tetrahydro-8-Hydroxy-7-Methoxy-, (+)-; Antibiotic Dc 81
• Molecular Formula: C₁₃H₁₄N₂O₃
• Molecular Weight: 246.27
• CAS Registry Number: 81307-24-6
• SMILES: C2=C1C(=O)N3C(C=NC1=CC(=C2OC)O)CCC3
• InChI: 1S/C13H14N2O3/c1-18-12-5-9-10(6-11(12)16)14-7-8-3-2-4-15(8)13(9)17/h5-8,16H,2-4H2,1H3
• InChIKey: LQDGLTOVYOUCRG-UHFFFAOYSA-N

Properties

• Density: 1.431g/cm³ (Cal.)
• Boiling point: 520.504°C at 760 mmHg (Cal.)
• Flash point: 268.592°C (Cal.)