Tifurac
Basic information
- CAS
97483-17-5- Standard SMILES
CSc1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1- InChIKey
WNYGTKAHASSKJM-UHFFFAOYSA-N- Molecular formula
- C18H14O4S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.0612801
Overview
Tifurac is a small molecule drug. The usage of the INN stem '-ac' in the name indicates that Tifurac is a anti-inflammatory agent, ibufenac derivative. Tifurac has a monoisotopic molecular weight of 326.06 Da.
Names & identifiers
- Preferred name
- Tifurac
- IUPAC
- 2-[7-(4-methylsulfanylbenzoyl)-1-benzofuran-5-yl]acetic acid
- English name
- Tifurac
- Molecular formula
- C18H14O4S
- Molecular weight
- 326.371
Names & synonyms
Tifurac97483-17-5TifuracoTifurac [INN]TifuracumTifuracum [Latin]Tifuraco [Spanish]UNII-YNJ5Z1WP82YNJ5Z1WP82Tifuracum (Latin)5-Benzofuranacetic acid, 7-(4-(methylthio)benzoyl)-7-(P-(METHYLTHIO)BENZOYL)-5-BENZOFURANACETATE
Show more names
RefChem:1899852-[7-(4-methylsulfanylbenzoyl)-1-benzofuran-5-yl]acetic acid2-(7-(4-(Methylthio)benzoyl)benzofuran-5-yl)acetic acidRS 82917CHEMBL75153orb2815091SCHEMBL103741342-[7-(4-methylsulfanylbenzoyl)-1-benzo[b]furan-5-yl]acetic acid
Database identifiers
- CAS
97483-17-5- PubChem CID
- 59358
- ChEMBL
CHEMBL75153- UNII
- YNJ5Z1WP82
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- FDA UNII
- 5 Z1WP82 · YNJ5Z1WP82
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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