6-(N-Piperidino)mitomycin C
[(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-piperidin-1-yl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: 6-(N-Piperidino)mitomycin C, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-piperidino-, carbamate (ester), [(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(piperidin-1-yl)-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-(piperidin-1-yl)-1,1a,2,4,7,8,8a,8b-octahydroazireno[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-8-(HY
| Molecular Formula | C20H26N4O5 |
|---|---|
| Molecular Weight | 402.1903 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 124.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.1903 |
| Heavy Atoms | 29 |
| Complexity | 874 |
Chemical Identifiers
| CAS Number | 4154-16-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)N5CCCCC5 |
Product Overview
6-(N-Piperidino)mitomycin C (CAS 4154-16-9), with molecular formula C20H26N4O5 and molecular weight 402.1903 g/mol. IUPAC: [(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-piperidin-1-yl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
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