N-Propylmitomycin C
[(7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-propyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: N-Propylmitomycin C, Mitomycin C, N-propyl-, 6-Amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-1-propylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione (1aS-(1aalpha,8beta,8aalpha,8balpha))-, (6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-propyl-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-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-propyl-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-amino-8-(hydroxymethyl)-8a-alpha-methoxy-5-methyl-1-propyl-, carbamate (ester), Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-1-propyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-, Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-1-propyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
| Molecular Formula | C18H24N4O5 |
|---|---|
| Molecular Weight | 376.17468 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 127.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.17468 |
| Heavy Atoms | 27 |
| Complexity | 818 |
Chemical Identifiers
| CAS Number | 16032-68-1 |
|---|---|
| SMILES | CCCN1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC |
Product Overview
N-Propylmitomycin C (CAS 16032-68-1), with molecular formula C18H24N4O5 and molecular weight 376.17468 g/mol. IUPAC: [(7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-propyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
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