7-i-Propoxy-7-demethoxymitomycin B
[(7R,8S)-7-methoxy-5,12-dimethyl-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
| Molecular Formula | C19H25N3O6 |
|---|---|
| Molecular Weight | 391.4 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 111.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.17435 |
| Heavy Atoms | 28 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 99901-08-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)OC(C)C |
| InChIKey | KFPYVXVZHSDPFY-LWBGYFDBSA-N |
📖 Product Overview
7-i-Propoxy-7-demethoxymitomycin B (CAS: 99901-08-3) is a chemical compound with molecular formula C19H25N3O6 and molecular weight 391.4 g/mol. Its IUPAC systematic name is [(7R,8S)-7-methoxy-5,12-dimethyl-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.
KFPYVXVZHSDPFY-LWBGYFDBSA-N.
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)OC(C)C.
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