Basic information
- CAS
31793-07-4- Standard SMILES
CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1- InChIKey
PIDSZXPFGCURGN-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO2
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0713064
Overview
Pirprofen is a pyrroline.
Names & identifiers
- Preferred name
- Pirprofen
- IUPAC
- 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
- English name
- Pirprofen
- Molecular formula
- C13H14ClNO2
- Molecular weight
- 251.71
Names & synonyms
Pirprofen31793-07-4RengasilPirprofenePirprofenoracemic pirprofenPirprofenumSeflenylSU-21524Rangasil 400SU 215243-CHLORO-4-(3-PYRROLIN-1-YL)HYDRATROPIC ACID
Show more names
Pirprofen USP/EP/BPPIDSZXPFGCURGN-UHFFFAOYSA-N2-[3-Chloro-4-(3-pyrrolin-1-yl)phenyl]propanoic acid2-[3-Chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]propionic acid2-[3-Chloro-4-(2,5-dihydro-1H-pyrrole-1-yl)phenyl]propanoic acidBenzeneacetic acid, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-α-methyl-
DTXSID7023489Hydratropic acid, 3-chloro-4-(3-pyrrolin-1-yl)-T7KN2918902-(3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl)propanoic acid2-[3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]propanoic acid2-(3-chloro-4-(3-pyrroli-1-yl)phenyl)propionic acidRefChem:863654DTXCID103489
Database identifiers
- CAS
31793-07-4- PubChem CID
- 35935
- DTXSID
DTXSID7023489
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
LogP3.58
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 98 · 98-100°
- Boiling point
- 410.8 · 410.8±45.0 °C(Predicted)
- Density
- 1.1778 · 1.1778 (rough estimate)
- refractive index
- 1.527 · 1.5270 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.56 · 4.56±0.10(Predicted)
- color
- Off-White
- FDA UNII
- 7 KN291890 · T7KN291890
- ATC code
- 1 AE08 · M01AE08
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Pirprofen
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
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.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesPirprofen is a non-steroidal anti-inflammatory drug.
UsesAnti-inflammatory.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
宝鸡缔都医药化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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