MITOMYCIN C DERIV
[(4R,6R,7S,8R)-11-(3-hydroxyanilino)-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 C DERIV|[(1aR,8R,8aS,8bR)-6-(3-Hydroxyanilino)-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-(3-hydroxyanilino)-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',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6-[(3-hydroxyphenyl)amino]-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]-1,1a,2,8,8a,8b-hexahydro-6[(3-hydroxyphenyl)amino]-8a-methoxy-5-methyl, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
| Molecular Formula | C21H22N4O6 |
|---|---|
| Molecular Weight | 426.15393 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.15393 |
| Monoisotopic Mass | 426.15393 |
| Heavy Atoms | 31 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 75491-89-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4)NC5=CC(=CC=C5)O |
| InChIKey | UFJKIIYWDWNGRE-PGDDNOQISA-N |
Product Overview
MITOMYCIN C DERIV (CAS 75491-89-3), with molecular formula C21H22N4O6 and molecular weight 426.15393 g/mol. IUPAC: [(4R,6R,7S,8R)-11-(3-hydroxyanilino)-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.
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