MITOMYCIN ANALOG
[(4R,6R,7S,8R)-7-methoxy-12-methyl-11-(2-morpholin-4-ylethylamino)-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|[(4R,6R,7S,8R)-7-methoxy-12-methyl-11-(2-morpholin-4-ylethylamino)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate|[(1aR,8R,8aS,8bR)-8a-Methoxy-5-methyl-6-{[2-(morpholin-4-yl)ethyl]amino}-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
| Molecular Formula | C21H29N5O6 |
|---|---|
| Molecular Weight | 447.2118 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.2118 |
| Monoisotopic Mass | 447.2118 |
| Heavy Atoms | 32 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 83586-89-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4)NCCN5CCOCC5 |
| InChIKey | KWGNODKUKSENDG-PGDDNOQISA-N |
Product Overview
MITOMYCIN ANALOG (CAS 83586-89-4), with molecular formula C21H29N5O6 and molecular weight 447.2118 g/mol. IUPAC: [(4R,6R,7S,8R)-7-methoxy-12-methyl-11-(2-morpholin-4-ylethylamino)-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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