Basic information
- CAS
59302-11-3- Standard SMILES
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C.O=C(O)c1cc(O)ccc1O- InChIKey
GQUQRKUQWVVIJY-UHFFFAOYSA-N- Molecular formula
- C20H23N3O5
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.16377084
Names & identifiers
- Preferred name
- Aminophenazone gentisate
- IUPAC
- 2,5-dihydroxybenzoic acid;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- aminophenazone 2,5-dihydroxybenzoate
- Molecular formula
- C18H19N3O5
- Molecular weight
- 357.36056
Names & synonyms
Aminophenazone gentisateAminophenazone 2,5-dihydroxybenzoateOOU2R8MG2B93841-78-22,5-Dihydroxybenzoic acid, compound with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)2,5-dihydroxybenzoic acid;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-oneUNII-OOU2R8MG2BEINECS 299-050-6DTXSID00208044EINECS 261-689-3AMINOPHENAZONE GENTISATE [WHO-DD]NS00087916
Show more names
Q272857682,5-Dihydroxybenzoic acid--4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1/1)3H-PYRAZOL-3-ONE, 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, MONO(2,5-DIHYDROXYBENZOATE)
Database identifiers
- CAS
59302-11-3、93841-78-2- PubChem CID
- 101002
- DTXSID
DTXSID00208044- UNII
- OOU2R8MG2B
- EC Number
- 261-689-3、299-050-6
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- FDA UNII
- 2 R8MG2B · OOU2R8MG2B
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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