Mitomycin C methylamine
Basic information
- CAS
16046-18-7- Standard SMILES
CNC1=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C1(OC)C3NC3CN21- InChIKey
QMWMHVONMWSXDM-UHFFFAOYSA-N- Molecular formula
- C16H20N4O5
- Average molar mass
- 348.35 g/mol
- Monoisotopic mass
- 348.14336975
Names & identifiers
- Preferred name
- Mitomycin C methylamine
- IUPAC
- [7-methoxy-12-methyl-11-(methylamino)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC329086Mitomycin C methylamine27066-44-0CHEMBL1997532DTXSID70936302NSC-329086NCI60_002865MITOMYCIN C,METHYLAMINE FR. STREPTOMYCES CAESPITOSUS[8a-Methoxy-5-methyl-6-(methylamino)-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[8a-Methoxy-5-methyl-6-(methylamino)-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 carbonimidate16046-18-7
Database identifiers
- CAS
16046-18-7、27066-44-0- PubChem CID
- 213803
- ChEMBL
CHEMBL1997532
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 772
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