Basic information
- CAS
53808-88-1- Standard SMILES
O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1- InChIKey
XVUQHFRQHBLHQD-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.0665554
Overview
Lonazolac is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-(4-chlorophenyl)-1-phenylpyrazol-4-yl group. 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 is a monocarboxylic acid, a member of pyrazoles and a member of monochlorobenzenes. It is functionally related to an acetic acid. It is a conjugate acid of a lonazolac(1-).
Names & identifiers
- Preferred name
- Lonazolac
- IUPAC
- 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetic acid
- English name
- lonazolac
- Molecular formula
- C17H13ClN2O2
- Molecular weight
- 312.755
Names & synonyms
Lonazolac53808-88-1LonazolacoLonazolacumDTXSID40461512-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)acetic acid3-(p-Chlorophenyl)-1-phenylpyrazole-4-acetic acidNSC-3197722-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid13097143QIDTXCID2026151CHEBI:76164
Show more names
LONAZOLAC CALCIUMLonazolac, 10 mM in DMSO3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-acetic acidanti-inflammatory,antirheumatic,non-acidic,Inhibitor,inhibit,Lonazolac
3-(4-chlorophenyl)-1-phenylpyrazole-4-acetic acidRefChem:153993M01AB09258-791-5Lonazolac [INN][3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetic acid1H-Pyrazole-4-acetic acid, 3-(4-chlorophenyl)-1-phenyl-
Database identifiers
- CAS
53808-88-1- PubChem CID
- 68706
- DTXSID
DTXSID4046151
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
LogP4.13
Physicochemical properties
- Melting point
- 150 · 150-151°
- form
- Solid
- pka
- 4.3 · 4.3(at 25℃)
- color
- Light yellow to yellow
- FDA UNII
- 13097143 QI · 13097143QI
- ATC code
- 1 AB09 · M01AB09
- Toxicity
- 50 in · LD50 in male mice, rats (mg/kg): 195, 165 i.v. (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 mice, rats (mg/kg): 195, 165 i.v. (Riedel)
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
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.
Upstream & downstream products
Upstream raw materials
Suppliers11 total
Aladdin Scientific[email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司
Related reactions
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Compound notes
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