[6-(Aziridin-1-Yl)-7-Methyl-5,8-Dioxo-2,3-Dihydro-1H-Pyrrolo[1,2-a]Benzimidazol-3-Yl] Acetate
[CAS# 123567-24-8]

Identification

• Name: [6-(Aziridin-1-Yl)-7-Methyl-5,8-Dioxo-2,3-Dihydro-1H-Pyrrolo[1,2-a]Benzimidazol-3-Yl] Acetate
• Synonyms: Acetic Acid [6-(1-Aziridinyl)-7-Methyl-5,8-Dioxo-2,3-Dihydro-1H-Pyrrolo[1,2-A]Benzimidazol-3-Yl] Ester; Acetic Acid (6-Ethylenimino-5,8-Diketo-7-Methyl-2,3-Dihydro-1H-Pyrrolo[1,2-A]Benzimidazol-3-Yl) Ester; [6-(Aziridin-1-Yl)-7-Methyl-5,8-Dioxo-2,3-Dihydro-1H-Pyrrolo[1,2-A]Benzimidazol-3-Yl] Ethanoate
• Molecular Formula: C₁₅H₁₅N₃O₄
• Molecular Weight: 301.30
• CAS Registry Number: 123567-24-8
• SMILES: CC4=C(N1CC1)C(=O)C2=C([N]3C(=N2)C(OC(=O)C)CC3)C4=O
• InChI: 1S/C15H15N3O4/c1-7-11(17-5-6-17)14(21)10-12(13(7)20)18-4-3-9(15(18)16-10)22-8(2)19/h9H,3-6H2,1-2H3
• InChIKey: FFUXDQVPXSUWDA-UHFFFAOYSA-N

Properties

• Density: 1.647g/cm³ (Cal.)
• Boiling point: 531.164°C at 760 mmHg (Cal.)
• Flash point: 275.038°C (Cal.)

References

• (1): Colucci Marie A.. Natural and synthetic quinones and their reduction by the quinone reductase enzyme NQO1: from synthetic organic chemistry to compounds with anticancer potential, Organic & Biomolecular Chemistry, 2008