(3R-cis)-1,2,3,10,11,11a-Hexahydro-3,8-Dihydroxy-7-Methoxy-5H-Pyrrolo(2,1-c)(1,4)Benzodiazepin-5-One
[CAS# 72274-97-6]

Identification

• Name: (3R-cis)-1,2,3,10,11,11a-Hexahydro-3,8-Dihydroxy-7-Methoxy-5H-Pyrrolo(2,1-c)(1,4)Benzodiazepin-5-One
• Synonyms: 5H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-5-One, 1,2,3,10,11,11A-Hexahydro-3,8-Dihydroxy-7-Methoxy-, (3R-Cis)-
• Molecular Formula: C₁₃H₁₆N₂O₄
• Molecular Weight: 264.28
• CAS Registry Number: 72274-97-6
• SMILES: [C@@H]23N(C(=O)C1=CC(=C(O)C=C1NC2)OC)[C@H](O)CC3
• InChI: 1S/C13H16N2O4/c1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h4-5,7,12,14,16-17H,2-3,6H2,1H3/t7-,12+/m0/s1
• InChIKey: RGLHUTLVRQIRSK-JVXZTZIISA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 576.559°C at 760 mmHg (Cal.)
• Flash point: 302.492°C (Cal.)