Basic information
- CAS
63365-44-6- Standard SMILES
CNc1cccc(NC(=O)C(=O)[O-])c1C#N.[Na+]- InChIKey
FWVLHWWSLPWDCF-UHFFFAOYSA-M- Molecular formula
- C10H8N3NaO3
- Average molar mass
- 241.18 g/mol
- Monoisotopic mass
- 241.04633541
Overview
orally active antiallergy agent; RN given is for Na salt
Names & identifiers
- Preferred name
- (2-Cyano-3-(methylamino)phenyl)oxoacetic acid
- IUPAC
- sodium 2-[2-cyano-3-(methylamino)anilino]-2-oxoacetate
- English name
- (2-cyano-3-(methylamino)phenyl)oxoacetic acid
- Molecular weight
- 0
Names & synonyms
63365-44-6Acetic acid, ((2-cyano-3-(methylamino)phenyl)amino)oxo-, monosodium salt(2-CYANO-3-(METHYLAMINO)PHENYL)OXOACETIC ACIDRefChem:68595Wy 41,195Wy-41,195WY-41195WH6C1NTP45Wy 41195UNII-WH6C1NTP45CHEMBL349926SCHEMBL11634616
Show more names
[[2-Cyano-3-(methylamino)phenyl]amino]oxoacetic acid sodium salt
sodium;2-[2-cyano-3-(methylamino)anilino]-2-oxoacetateDTXSID10979511((2-Cyano-3-(methylamino)phenyl)amino)oxoacetic acid monosodium saltQ27292639Sodium [2-cyano-3-(methylamino)anilino](oxo)acetate
Database identifiers
- CAS
63365-44-6- PubChem CID
- 23689136
- DTXSID
DTXSID10979511- ChEMBL
CHEMBL349926- UNII
- WH6C1NTP45
- Nikkaji
- J23.656J
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- FDA UNII
- 6 C1NTP45 · WH6C1NTP45
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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