Basic information
- CAS
3811-06-1- Standard SMILES
CCOC(=O)Nc1ccc(-c2c3ccccc3c3cc(N)ccc3[n+]2C)cc1.CCS(=O)(=O)[O-]- InChIKey
HWNAMLYNDCCMPV-UHFFFAOYSA-N- Molecular formula
- C25H27N3O5S
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.16714214
Names & identifiers
- Preferred name
- Carbidium ethanesulfonate
- IUPAC
- ethanesulfonate;ethyl N-[4-(2-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate
Names & synonyms
Carbidium ethanesulfonateCarbidium ethanesulphonate74C48DTXSID101915193811-06-13-Amino-9-p-carbethoxyaminophenyl-10-methylphenanthridinium ethanesulphonate2-Amino-6-(p-carboxyaminophenyl)-5-methylphenanthridinium ethanesulfonate ethyl esterPhenanthridinium, 2-amino-6-(4-((ethoxycarbonyl)amino)phenyl)-5-methyl-, ethanesulfonatePhenanthridinium, 2-amino-6-(p-carboxyaminophenyl)-5-methyl-, ethanesulfonate, ethyl esterRefChem:333303DTXCID001140102-Amino-6-{4-[(ethoxycarbonyl)amino]phenyl}-5-methylphenanthridin-5-ium ethanesulfonate
Database identifiers
- CAS
3811-06-1- PubChem CID
- 199175
- DTXSID
DTXSID10191519
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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