(1aS-(1aalpha,8beta,8aalpha,8balpha))-8-(((Aminocarbonyl)Oxy)Methyl)-1,1a,2,8,8a,8b-Hexahydro-8a-Methoxy-5-Methyl-6-((2-(Phosphonooxy)Ethyl)Amino)-Azirino(2',3':3,4)Pyrrolo(1,2-a)Indole-4,7-Dione
[CAS# 124580-38-7]

Identification

• Name: (1aS-(1aalpha,8beta,8aalpha,8balpha))-8-(((Aminocarbonyl)Oxy)Methyl)-1,1a,2,8,8a,8b-Hexahydro-8a-Methoxy-5-Methyl-6-((2-(Phosphonooxy)Ethyl)Amino)-Azirino(2',3':3,4)Pyrrolo(1,2-a)Indole-4,7-Dione
• Synonyms: Mitomycin Phosphate
• Molecular Formula: C₁₇H₂₃N₄O₉P
• Molecular Weight: 458.36
• CAS Registry Number: 124580-38-7
• SMILES: [C@@]13(N(C2=C([C@H]1COC(=O)N)C(C(=C(C2=O)C)NCCO[P](=O)(O)O)=O)C[C@H]4[C@@H]3N4)OC
• InChI: 1S/C17H23N4O9P/c1-7-11(19-3-4-30-31(25,26)27)14(23)10-8(6-29-16(18)24)17(28-2)15-9(20-15)5-21(17)12(10)13(7)22/h8-9,15,19-20H,3-6H2,1-2H3,(H2,18,24)(H2,25,26,27)/t8-,9+,15+,17-/m1/s1
• InChIKey: MNOGBRROKHFONU-CJUKMMNNSA-N

Properties

• Density: 1.66g/cm³ (Cal.)
• Boiling point: 759.571°C at 760 mmHg (Cal.)
• Flash point: 413.174°C (Cal.)