Basic information
- CAS
112997-66-7- Standard SMILES
C[NH+](C)CCO.NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1- InChIKey
UOOFZXVHSVBNBQ-UHFFFAOYSA-N- Molecular formula
- C14H23N3O6S
- Average molar mass
- 361.42 g/mol
- Monoisotopic mass
- 361.13075664
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 2-(dimethylamino)ethanol (1:1)
- IUPAC
- 2-hydroxyethyl(dimethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate
Names & synonyms
112997-66-7DTXSID20150253RefChem:330855DTXCID80727442-Hydroxy-N,N-dimethylethan-1-aminium 4-oxo-4-(4-sulfamoylanilino)butanoate
Database identifiers
- CAS
112997-66-7- PubChem CID
- 60588
- DTXSID
DTXSID20150253
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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