Anirolac
Basic information
- CAS
66635-85-6- Standard SMILES
COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1- InChIKey
HEOZYYOUKGGSBJ-UHFFFAOYSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- Anirolac
- IUPAC
- 5-(4-methoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
- English name
- Anirolac
- Molecular formula
- C16H15NO4
- Molecular weight
- 285.29
Names & synonyms
ANIROLAC66635-85-6RS-37326S9B9E35WUX2,3-dihydro-5-(4-methoxybenzoyl)-1H-pyrrolizine-1-carboxylic acidRefChem:915888Anirolaco5-(4-methoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acidAnirolacumAnirolacum [Latin]Anirolaco [Spanish]Anirolac [USAN:INN]
Show more names
1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-(4-methoxybenzoyl)-
UNII-S9B9E35WUXRS 37326RS37326(+-)-5-p-Anisoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-(4-methoxybenzoyl)-, (+-)-ANIROLAC [USAN]Anirolac (USAN/INN)ANIROLAC [INN]
Database identifiers
- CAS
66635-85-6- PubChem CID
- 47975
- DTXSID
DTXSID80867239- ChEMBL
CHEMBL428479- UNII
- S9B9E35WUX
- Nikkaji
- J82.338D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
LogP2.81
Physicochemical properties
- Boiling point
- 532.6 · 532.6±50.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.20(Predicted)
- FDA UNII
- 9 B9E35WUX · S9B9E35WUX
Chemistry & industry
Applications
UsesAntiinflammatory; analgesic.
UsesAnirolac is a nonsteroidal anti-inflammatory drug with analgesic properties. Study suggests that pain relief due to Anirolac is equivalent to that of Naproxen (N377520).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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