Metazoxolon
Basic information
- CAS
5707-73-3- Standard SMILES
Cc1[nH]oc(=O)c1N=Nc1cccc(Cl)c1- InChIKey
PANCLGUYZXWRPW-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O2
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0305042
Names & identifiers
- Preferred name
- Metazoxolon
- IUPAC
- 4-[(3-chlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
- English name
- 3-methylisoxazole-4,5-dione 4-[(3-chlorophenyl)hydrazone]
- Molecular formula
- C10H8ClN3O2
- Molecular weight
- 237.64
Names & synonyms
MetazoxolonMETAZOXOLONE5707-73-3Metazoxolon [ISO]PP 395JF 3937KN5Z2WC8924,5-Isoxazoledione, 3-methyl-, 4-[(3-chlorophenyl)hydrazone]4,5-Isoxazoledione, 3-methyl-, 4-[(m-chlorophenyl)hydrazone]3-Methyl-4-(m-chlorophenylhydrazono)-5-isoxazolone4-[(3-chlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one3-METHYLISOXAZOLE-4,5-DIONE 4-[(3-CHLOROPHENYL)HYDRAZONE]
Show more names
3-methyl-4-(m-chlorophenylhydrazono)isoxazol-5-one4-[2-(3-Chlorophenyl)hydrazono]-3-methylisoxazole-5(4H)-one4,5-Isoxazoledione, 3-methyl-, 4-[2-(3-chlorophenyl)hydrazone](4E)-4-[(3-chlorophenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one
3-Methylisoxazole-4,5-dione 4-((3-chlorophenyl)hydrazone)UNII-KN5Z2WC8924,5-Isoxazoledione, 3-methyl-, 4-((3-chlorophenyl)hydrazone)EINECS 227-198-3PP-395METAZOXOLONE [ISO]SCHEMBL166219orb1696143
Database identifiers
- CAS
5707-73-3- PubChem CID
- 21930
- DTXSID
DTXSID401024089- UNII
- KN5Z2WC892
- EC Number
- 227-198-3
- Nikkaji
- J9.557E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 324.8 · 324.8±44.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.40(Predicted)
- FDA UNII
- 5 Z2WC892 · KN5Z2WC892
Chemistry & industry
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