N(6)-((Dimethylamino)Methylene)Mitomycin C
[CAS# 88949-01-3]

Identification

• Name: N(6)-((Dimethylamino)Methylene)Mitomycin C
• Synonyms: 7-N-(Dimethylaminomethylene)mitomycin C; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(((dimethylamino)methylene)amino)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester); Methanimidamide, N'-(8-(((aminocarbonyl)oxy)methyl)-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino(2',3':3,4)pyrrolo(1,2-a)indol-6-yl)-N,N-dimethyl-, (1aS-(1aα,8β,8aα,8bα))-
• Molecular Formula: C₁₈H₂₃N₅O₅
• Molecular Weight: 389.41
• CAS Registry Number: 88949-01-3
• SMILES: O=C\1C/2=C(\C(=O)C(/N=C/N(C)C)=C/1C)[C@H]([C@]3(OC)N\2CC4NC34)COC(=O)N
• InChI: 1S/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/b20-7+/t9-,10?,16?,18-/m1/s1
• InChIKey: WZMFNIVNLYRDDE-FYMIRHOWSA-N

Properties

• Density: 1.605g/cm³ (Cal.)
• Boiling point: 593.437°C at 760 mmHg (Cal.)
• Flash point: 312.7°C (Cal.)