Basic information
- CAS
50270-33-2- Standard SMILES
O=C(O)Cc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1- InChIKey
LZRDDINFIHUVCX-UHFFFAOYSA-N- Molecular formula
- C23H18N2O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.13682782
Overview
Isofezolac is a member of pyrazoles and a ring assembly.
Names & identifiers
- Preferred name
- Isofezolac
- IUPAC
- 2-(2,4,5-triphenylpyrazol-3-yl)acetic acid
- English name
- isofezolac
- Molecular formula
- C23H18N2O2
- Molecular weight
- 354.4
Names & synonyms
Isofezolac50270-33-2IsofezolacoIsofezolacum7K6U6T13601,3,4-Triphenylpyrazole-5-acetic acidLM-22102DTXSID40198273RefChem:149328DTXCID70120764256-512-12-(2,4,5-triphenylpyrazol-3-yl)acetic acid
Show more names
Sofenac1,3,4-Triphenyl-1H-pyrazole-5-acetic acid1H-Pyrazole-5-acetic acid, 1,3,4-triphenyl-
Isofezolac [INN]LM 22102; SofenacIsofezolacum [INN-Latin]Isofezolaco [INN-Spanish]UNII-7K6U6T13602-(1,3,4-triphenyl-1H-pyrazol-5-yl)acetic acidEINECS 256-512-1ISOFEZOLAC [MI]
Database identifiers
- CAS
50270-33-2- PubChem CID
- 68677
- DTXSID
DTXSID40198273- ChEMBL
CHEMBL2104795- ChEBI
CHEBI:135494- UNII
- 7K6U6T1360
- EC Number
- 256-512-1
- Nikkaji
- J10.366G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Melting point
- 200 ° · 200°
- Boiling point
- 542.8 · 542.8±50.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 3.84 · 3.84±0.10(Predicted)
- FDA UNII
- 7 K6U6T1360 · 7K6U6T1360
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 215, 13 orally (Mizoule)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice, rats (mg/kg): 215, 13 orally (Mizoule)
Chemistry & industry
Applications
DescriptionIsofezolac is a nonsteroidal antiinflammatory agent indicated for use in various forms of rheumatoid arthritis and osteoarthritis.
Suppliers3 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Isofezolac is a member of pyrazoles and a ring assembly.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…