2-Pyridylmethyl-2-(4-isobutylphenyl)propionat

Pimeprofen · BO-36 · BE 100 · Vesicum · U 75630 · Staderm · Picoprofen · Pimeprophen

Identifikatoren & physikalische Daten

CAS No.	64622-45-3
Summenformel	C19H23NO2
Durchschnittliche Molmasse	297,4 g/mol
Monoisotopische Masse	297,17287898 g/mol
SMILES	CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1
InChIKey	ACEWLPOYLGNNHV-UHFFFAOYSA-N
PubChem CID	3673
ChEMBL	CHEMBL2106254
ChEBI	CHEBI:31685
EC No.	264-979-8
DTXSID	DTXSID7023140
Lokaler Name	2-Pyridylmethyl-2-(4-isobutylphenyl)propionat

Chemische & physikalische Eigenschaften

XLogP	4,3
Polarare Oberfläche (TPSA)	39,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	7
Schwere Atome	22
Formalladung	0
Komplexität	334
Siedepunkt	438.9°C (rough estimate)
Dichte	1.0971 (rough estimate)
Brechungsindex	1.5000 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Acetone (Slightly), Chloroform (Slightly), Methanol (Sparingly)
Aggregatzustand	Oil
pKa (Säurekonstante)	3.36±0.12(Predicted)
Farbe	Colourless
InChI	InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
InChIKey	ACEWLPOYLGNNHV-UHFFFAOYSA-N
SMILES	C(C1C=CC(CC(C)C)=CC=1)(C)C(=O)OCC1N=CC=CC=1

Anwendungen & Verwendung

Beschreibung

Pimaprofen (ibuprofen piconol) is an antiinflammatory agent useful in the topical treatment of acute and chronic eczema, and contact and atopic dermatitis.

Verwenden

Ibuprofen Piconol is an anti-inflammatory agent that can be synthesized from Ibuprofen (I140000), which is a selective cyclooxygenase inhibitor.