Mitomycin C, 7-N-(p-aminophenyl)-
Basic information
- CAS
70343-58-7- Standard SMILES
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccc(N)cc4)C3=O)N1C[C@@H]1N[C@@H]12- InChIKey
YGUVTKJSUAJFQW-YDBSYXHISA-N- Molecular formula
- C21H23N5O5
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.16991885
Names & identifiers
- Preferred name
- Mitomycin C, 7-N-(p-aminophenyl)-
- IUPAC
- [(4S,6S,7R,8S)-11-(4-aminoanilino)-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
Names & synonyms
N(6)-4-Aminophenylmitomycin C7-N-(p-Aminophenyl)-mitomycin CMitomycin C, 7-N-(p-aminophenyl)-70343-58-7Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(((aminocarbonyl)oxy)methyl)-6-((4-aminophenyl)amino)-8a-methoxy-5-methyl-, (1aR-(1a-alpha,8-beta,8a-alpha,8b-alpha))-RefChem:357066DTXSID30990546[(1aS,8S,8aR,8bS)-6-(4-Aminoanilino)-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[6-(4-Aminoanilino)-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
Database identifiers
- CAS
70343-58-7- PubChem CID
- 153248
- DTXSID
DTXSID30990546- Nikkaji
- J420.677K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 921
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…