Basic information
- CAS
56739-21-0- Standard SMILES
CCn1c(=O)c2ccccc2n(-c2cccc([N+](=O)[O-])c2)c1=O- InChIKey
GNWCRBFQZDJFTI-UHFFFAOYSA-N- Molecular formula
- C16H13N3O4
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.0906059
Overview
Nitraquazone is a small molecule drug. The usage of the INN stem '-azone' in the name indicates that Nitraquazone is a anti-inflammatory analgesic, phenylbutazone derivative. Nitraquazone has a monoisotopic molecular weight of 311.09 Da.
Names & identifiers
- Preferred name
- Nitraquazone
- IUPAC
- 3-ethyl-1-(3-nitrophenyl)quinazoline-2,4-dione
- English name
- Nitraquazone
- Molecular formula
- C16H13N3O4
- Molecular weight
- 311.29
Names & synonyms
Nitraquazone56739-21-0Nitraquazonumnitracuazona1YF1KXP4QFTVX-27063-Ethyl-1-(3-nitrophenyl)-2,4(1H,3H)-quinazolinedioneRefChem:1660513-Ethyl-1-(3-nitro-phenyl)-1H-quinazoline-2,4-dioneNitraquazone [INN]3-Ethyl-1-(m-nitrophenyl)-2,4(1H,3H)-quinazolinedioneNitraquazona
Show more names
TVX 27062,4(1H,3H)-Quinazolinedione, 3-ethyl-1-(3-nitrophenyl)-
Nitraquazonum [Latin]Nitraquazona [Spanish]UNII-1YF1KXP4QFCHEMBL88990SCHEMBL125623orb1740397SCHEMBL29424264DTXSID00972177
Database identifiers
- CAS
56739-21-0- PubChem CID
- 68765
- DTXSID
DTXSID00972177- ChEMBL
CHEMBL88990- UNII
- 1YF1KXP4QF
- Nikkaji
- J23.662D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- FDA UNII
- 1 YF1KXP4QF · 1YF1KXP4QF
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
Related reactions
4 records
Compound notes
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