Diproxadol
Basic information
- CAS
52042-24-7- Standard SMILES
CC1Oc2ccc(Cl)cc2N(CC(O)CO)C1=O- InChIKey
YIAHFLWLLVEPPS-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4
- Average molar mass
- 271.69 g/mol
- Monoisotopic mass
- 271.0611356
Names & identifiers
- Preferred name
- Diproxadol
- IUPAC
- 6-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
- English name
- Diproxadol
- Molecular formula
- C12H14ClNO4
- Molecular weight
- 271.7
Names & synonyms
Diproxadol52042-24-7Diproxadol [INN]Diproxadolum6-Chloro-4-(2,3-dihydroxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-oneDiproxadolum [INN-Latin]UNII-GC87H8686GGC87H8686GANP 40712-Methyl-3-oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-methyl-Diproxadolum (INN-Latin)
Show more names
RefChem:1348666-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-oneSCHEMBL2109985CHEMBL2106466SCHEMBL31648969DTXSID50866234CCA04224NS00126926
Database identifiers
- CAS
52042-24-7- PubChem CID
- 68688
- DTXSID
DTXSID50866234- ChEMBL
CHEMBL2106466- UNII
- GC87H8686G
- Nikkaji
- J10.400K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- FDA UNII
- 87 H8686G · GC87H8686G
Chemistry & industry
Applications
UsesDiproxadol is a benzoxazinone derivative tested for analgesic activity in mice.
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Compound notes
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