2,7-Diamino-(9-(P-(2-(N-nitroso-N-methylcarbamoylamino)ethyl)carbamoylphenyl)-10-methylphenanthridium chloride
Basic information
- CAS
116405-70-0- Standard SMILES
CN(N=O)C(=O)NCCNC(=O)c1ccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)cc1.[Cl-]- InChIKey
DTSYHRMAHJXISC-UHFFFAOYSA-N- Molecular formula
- C25H26ClN7O3
- Average molar mass
- 508 g/mol
- Monoisotopic mass
- 507.1785654
Names & identifiers
- Preferred name
- 2,7-Diamino-(9-(P-(2-(N-nitroso-N-methylcarbamoylamino)ethyl)carbamoylphenyl)-10-methylphenanthridium chloride
- IUPAC
- 4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-[2-[[methyl(nitroso)carbamoyl]amino]ethyl]benzamide chloride
Names & synonyms
2,7-Diamino-(9-(P-(2-(N-nitroso-N-methylcarbamoylamino)ethyl)carbamoylphenyl)-10-methylphenanthridium chloride
Database identifiers
- CAS
116405-70-0- PubChem CID
- 146629
- DTXSID
DTXSID70922043
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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