7-Isopropoxy-7-demethoxymitomycin A
[(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-propan-2-yloxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: AC1L272V|7-Isopropoxy-7-demethoxymitomycin A|BRN 5776967|9-(Hydroxymethyl)-7-isopropoxy-9a-methoxy-6-methylmitosane carbamate|Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6-isopropoxy-8a-methoxy-5-methyl-, carbamate|{(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-[(propan-2-yl)oxy]-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl hydrogen carbonimidate|{8a-Methoxy-5-methyl-4,7-dioxo-6-[(propan-2-yl)oxy]-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl hydrogen carbonimidate
| Molecular Formula | C18H23N3O6 |
|---|---|
| Molecular Weight | 377.1587 g/mol |
| LogP | -0.18 |
| Topological Polar Surface Area | 130.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1587 |
| Heavy Atoms | 27 |
| Complexity | 815.9 |
Chemical Identifiers
| CAS Number | 56981-61-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)OC(C)C |
Product Overview
7-Isopropoxy-7-demethoxymitomycin A (CAS 56981-61-4), with molecular formula C18H23N3O6 and molecular weight 377.1587 g/mol. IUPAC: [(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-propan-2-yloxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
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