(2S,11aS)-2,8-Dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
[CAS# 89675-39-8]

Identification

• Name: (2S,11aS)-2,8-Dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
• Synonyms: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-2,8-dihydroxy-7-methoxy-, (2S-trans)-; Chicamycin B
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.26
• CAS Registry Number: 89675-39-8
• SMILES: O=C1c3c(\N=C/[C@H]2N1C[C@@H](O)C2)cc(O)c(OC)c3
• InChI: 1S/C13H14N2O4/c1-19-12-3-9-10(4-11(12)17)14-5-7-2-8(16)6-15(7)13(9)18/h3-5,7-8,16-17H,2,6H2,1H3/t7-,8-/m0/s1
• InChIKey: JEWCIEJYMIAHBW-YUMQZZPRSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 582.264°C at 760 mmHg (Cal.)
• Flash point: 305.943°C (Cal.)