Nitraquazone

HCID 68765

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

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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