D-3017
Basic information
- CAS
130403-18-8- Standard SMILES
Cc1cccc(C)c1NC(=O)c1cc(CO)on1- InChIKey
INTCSWFXEXGUFR-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- D-3017
- IUPAC
- N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
- English name
- 3-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26186
Names & synonyms
BRN 5853002527HOM1DFY3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-UNII-527HOM1DFYD-3017N-(2,6-Dimethylphenyl)-5-(hydroxymethyl)-3-isoxazolecarboxamideD3017DTXSID90156525D 3017RefChem:200320DTXCID9079016130403-18-8
Show more names
3-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-
N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamideorb2945933SCHEMBL9133800CHEMBL5277252HY-171182T204154
Database identifiers
- CAS
130403-18-8- PubChem CID
- 3076191
- DTXSID
DTXSID90156525- ChEMBL
CHEMBL5277252- UNII
- 527HOM1DFY
- Nikkaji
- J517.244F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- FDA UNII
- 527 HOM1DFY · 527HOM1DFY
Chemistry & industry
Applications
UsesD3017 is the main metabolite of D2624, which has oral bioactivity and anti-convulsant effects. D3017 ED50 value is 1.5 mg/kg in mice, and it can be used for research on severe generalized tonic-clonic seizures (grand mal) and complex partial epilepsy[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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