9alpha-O-Methylmitomycin B
[CAS# 74985-82-3]

Identification

• Name: 9alpha-O-Methylmitomycin B
• Synonyms: Azirino(2',3':3,4)Pyrrolo(1,2-A)Indole-4,7-Dione, 1,1A,2,8,8A,8B-Hexahydro-6,8A-; Azirino(2',3':3,4)Pyrrolo(1,2-A)Indole-4,7-Dione, 1,1A,2,8,8A,8B-Hexahydro-6,8A-Dimethoxy-1,5-Dimethyl-8-(Hydroxymethyl)-, Carbamate; Brn 5485913
• Molecular Formula: C₁₇H₂₁N₃O₆
• Molecular Weight: 363.37
• CAS Registry Number: 74985-82-3
• SMILES: [C@]13(OC)N(C2=C([C@H]1COC(=O)N)C(=O)C(=C(C2=O)C)OC)CC4N(C34)C
• InChI: 1S/C17H21N3O6/c1-7-12(21)11-10(13(22)14(7)24-3)8(6-26-16(18)23)17(25-4)15-9(19(15)2)5-20(11)17/h8-9,15H,5-6H2,1-4H3,(H2,18,23)/t8-,9?,15?,17-,19?/m1/s1
• InChIKey: FMMDHGNWABITNT-QTGYQSILSA-N

Properties

• Density: 1.469g/cm³ (Cal.)
• Boiling point: 567.966°C at 760 mmHg (Cal.)
• Flash point: 297.296°C (Cal.)