7-Butoxy-7-demethoxymitomycin A
[(7R,8S)-11-butoxy-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: AC1L272Y|7-Butoxy-7-demethoxymitomycin A|BRN 5649657|7-Butoxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate|(6-Butoxy-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate|[(8S,8aR)-6-Butoxy-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 hydrogen carbonimidate|Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-butoxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate
| Molecular Formula | C19H25N3O6 |
|---|---|
| Molecular Weight | 391.17435 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 130.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.17435 |
| Heavy Atoms | 28 |
| Complexity | 818.5 |
Chemical Identifiers
| CAS Number | 56981-64-7 |
|---|---|
| SMILES | CCCCOC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C |
Product Overview
7-Butoxy-7-demethoxymitomycin A (CAS 56981-64-7), with molecular formula C19H25N3O6 and molecular weight 391.17435 g/mol. IUPAC: [(7R,8S)-11-butoxy-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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