Dofamium
Basic information
- CAS
757883-80-0- Standard SMILES
CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC(=O)Nc1ccccc1- InChIKey
UYXUGCPDSUDDGI-UHFFFAOYSA-O- Molecular formula
- C25H44N3O2+
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.34335265
Names & identifiers
- Preferred name
- Dofamium
- IUPAC
- (2-anilino-2-oxoethyl)-[2-[dodecanoyl(methyl)amino]ethyl]-dimethylazanium
Names & synonyms
DofamiumDofamium cationDofamium ionDofamium [WHO-DD]UNII-Q4LN71124HQ4LN71124H757883-80-0Dimethyl(2-(N-methyldodecanamido)ethyl)((phenylcarbamoyl)methyl)ammoniumEthanaminium, N,N-dimethyl-N-(2-(methyl(1-oxododecyl)amino)ethyl)-2-oxo-2-(phenylamino)-DTXSID70226694Dimethyl[2-(N-Methyldodecanamido)Ethyl][(Phenylcarbamoyl)Methyl]AmmoniumRefChem:135559
Show more names
DTXCID00149185SCHEMBL8083768CHEMBL2110908NS00007129Q272869962-Anilino-N,N-dimethyl-N-[2-(N-methyldodecanamido)ethyl]-2-oxoethan-1-aminium
Database identifiers
- CAS
757883-80-0- PubChem CID
- 72102
- DTXSID
DTXSID70226694- ChEMBL
CHEMBL2110908- UNII
- Q4LN71124H
- Nikkaji
- J238.661E
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 473
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Compound notes
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