Basic information
- CAS
21721-92-6- Standard SMILES
Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1- InChIKey
NMTBSNPBIGRZBL-UHFFFAOYSA-N- Molecular formula
- C10H8N4O4
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 248.05455475
Overview
Nitrefazole is a member of imidazoles.
Names & identifiers
- Preferred name
- 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole
- IUPAC
- 2-methyl-4-nitro-1-(4-nitrophenyl)imidazole
- English name
- Nitrefazole
- Molecular formula
- C10H8N4O4
- Molecular weight
- 248.19
Names & synonyms
Nitrefazole21721-92-6nitrefazol2-methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole2-Methyl-4-nitro-1-(4-nitrophenyl)imidazoleNitrefazolumDTXSID2048826EMD 15 700EMD-15-700VFD629099MDTXCID9028752RefChem:910062
Show more names
EMD 157001-(4-NITROPHENYL)-2-METHYL-4-NITROIMIDAZOLE2-methyl-4-nitro-1-(p-nitrophenyl)-imidazol2-methyl-4-nitro-1-(4-nitrophenyl)-1h-imidazol1H-Imidazole,2-methyl-4-nitro-1-(4-nitrophenyl)-
244-542-8AltimolBT-985Altimol; EMD 157001H-Imidazole, 2-methyl-4-nitro-1-(4-nitrophenyl)-NCGC00183023-01Nitrefazol [INN-Spanish]Nitrefazolum [INN-Latin]
Database identifiers
- CAS
21721-92-6- PubChem CID
- 71900
- DTXSID
DTXSID2048826- ChEMBL
CHEMBL1909285- ChEBI
CHEBI:135009
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 185 · 185-187°
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Light Yellow to Yellow
- FDA UNII
- 629099 M · VFD629099M
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Nitrefazole
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
Chemistry & industry
Applications
DescriptionNitrefazole is an inhibitor of aldehyde dehydrogenase useful in the management of alcoholism. Cited advantages over disulfiram include longer duration of action, higher specificity (no inhibition of dopamine β-hydroxylase) and fewer side effects. It is generally recognized that the efficacy of such agents with respect to permanent abstinence is low. However, temporary abstinence and/or controlled drinking may facilitate supportive psychotherapy and/or delay the onset of severe alcoholic diseases.
UsesNitrefazole is a nitroimidazole derivative with the ability to inhibit aldehyde dehydrogenase, and enzyme crucial to the metabolism of alcohol. This compound is suitable for aldehyde dehydrogenase (ALDH) related research.
Suppliers10 total
河南伊诺凯新材料有限公司15670530983 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
TargetMol中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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