8-((Aminocarbonyl)oxy)methyl-4,8a-dimethoxy-1,1a,2,8,8a,8b-hexahydro-7-hydroxy-5-methyl-6-nitrosoazirino(2',3'-3,4)-pyrrolo-(1,2-a)indole
[CAS# 113785-48-1]

Identification

• Name: 8-((Aminocarbonyl)oxy)methyl-4,8a-dimethoxy-1,1a,2,8,8a,8b-hexahydro-7-hydroxy-5-methyl-6-nitrosoazirino(2',3'-3,4)-pyrrolo-(1,2-a)indole
• Synonyms: Azirino(2',3':3,4)Pyrrolo(1,2-A)Indole-8-Methanol, 1,1A,2,8,8A,8B-Hexahydro-7-Hydroxy-4,8A-Dimethoxy-5-Methyl-6-Nitroso-, Alpha-Carbamate, (1As-(1Aalpha,8Beta,8Aalpha,8Balpha))-; Rm 49; Rm-49
• Molecular Formula: C₁₆H₂₀N₄O₆
• Molecular Weight: 364.36
• CAS Registry Number: 113785-48-1
• SMILES: [C@]13(N(C2=C([C@@H]1COC(N)=O)C(=C(C(=C2OC)C)N=O)O)C[C@H]4[C@@H]3N4)OC
• InChI: 1S/C16H20N4O6/c1-6-10(19-23)12(21)9-7(5-26-15(17)22)16(25-3)14-8(18-14)4-20(16)11(9)13(6)24-2/h7-8,14,18,21H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16-/m0/s1
• InChIKey: NVDDGNSLJMPYKZ-HHBNPUPASA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 619.098°C at 760 mmHg (Cal.)
• Flash point: 328.219°C (Cal.)