MITOMYCIN ANALOG
[(4R,6R,7S,8R)-11-(furan-2-ylmethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: MITOMYCIN ANALOG|[(1aR,8R,8aS,8bR)-6-{[(Furan-2-yl)methyl]amino}-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate|[(4R,6R,7S,8R)-11-(furan-2-ylmethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate|Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-[(2-furanylmethyl)amino]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.))-|Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-[(2-furanylmethyl)amino]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.))-|Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-[(2-furanylmethyl)amino]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
| Molecular Formula | C20H22N4O6 |
|---|---|
| Molecular Weight | 414.15393 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.15393 |
| Monoisotopic Mass | 414.15393 |
| Heavy Atoms | 30 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 78152-96-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4)NCC5=CC=CO5 |
| InChIKey | QFDMVJVKSRQXDD-XBHLMJSLSA-N |
Product Overview
MITOMYCIN ANALOG (CAS 78152-96-2), with molecular formula C20H22N4O6 and molecular weight 414.15393 g/mol. IUPAC: [(4R,6R,7S,8R)-11-(furan-2-ylmethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.