Lonazolac Calcium
Basic information
- CAS
75821-71-5- Standard SMILES
O=C([O-])Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.O=C([O-])Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.[Ca+2]- InChIKey
CAQGVXNKMLYRMF-UHFFFAOYSA-L- Molecular formula
- C34H24CaCl2N4O4
- Average molar mass
- 663.6 g/mol
- Monoisotopic mass
- 662.0800515
Overview
Lonazolac calcium is an organic calcium salt having [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate as the counterion. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and an antineoplastic agent. It contains a lonazolac(1-).
Names & identifiers
- Preferred name
- Lonazolac Calcium
- IUPAC
- calcium bis(2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate)
- English name
- calcium bis[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-acetate]
- Molecular formula
- C34H24CaCl2N4O4
- Molecular weight
- 663.56276
Names & synonyms
Lonazolac calcium75821-71-5IrritrenLonazolac calcium saltArgun lATRILON0H73O2AC36CHEBI:76167SNK-8741H-Pyrazole-4-acetic acid, 3-(4-chlorophenyl)-1-phenyl-, calcium salt (2:1)RefChem:153994278-322-8
Show more names
Arthro akutBis[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-acetic acid]calcium saltBis[1-phenyl-3-(4-chlorophenyl)-1H-pyrazole-4-acetic acid]calcium salt
Calcium bis[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-acetate]calcium;2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetateLonazolaco calcicoCHEMBL2172780Lonazolaco calcico [Spanish]FloxanLonaxUNII-0H73O2AC36
Database identifiers
- CAS
75821-71-5- PubChem CID
- 6917852
- ChEMBL
CHEMBL2172780- ChEBI
CHEBI:76167- UNII
- 0H73O2AC36
- EC Number
- 278-322-8
- Nikkaji
- J319.142G
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 270 · melts between 270-290° (dec)
- FDA UNII
- 0 H73O2AC36 · 0H73O2AC36
- Toxicity
- 50 in · LD50 in male, female mice, male, female rats (mg/kg): 670, 845, 730, 1000 orally (Riedel)
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 male, female mice, male, female rats (mg/kg): 670, 845, 730, 1000 orally (Riedel)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
UsesLonazolac (hemicalcium) is the calcium salt form of Lonazolac. Lonazolac is a nonsteroidal antirheumatic agent with anti-inflammatory properties[1].
Additional notes
DefinitionChEBI: An organic calcium salt having [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate as the counterion.
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