50679-08-8

Synonym(s):
α-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol

CAS NO.：50679-08-8

Empirical Formula: C32H41NO2

Molecular Weight: 471.67

MDL number: MFCD00079622

EINECS: 256-710-8

PRODUCT Properties

• Melting point: 145-152 °C
• Boiling point: 572.76°C (rough estimate)
• Density: 1.0488 (rough estimate)
• refractive index: 1.6310 (estimate)
• storage temp.: 2-8°C
• solubility: chloroform: soluble250 mg plus 5 ml of solvent, clear to very slightly hazy, colorless to faintly yellow
• form: Solid
• pka: pKa 9.21(H2O t = 25 I = 0.025) (Uncertain)
• color: White to Off-White
• Water Solubility: 0.001 g/100 mL (30 ºC)
• InChIKey: GUGOEEXESWIERI-UHFFFAOYSA-N
• SMILES: C(O)(C1C=CC=CC=1)(C1=CC=CC=C1)C1CCN(CCCC(O)C2C=CC(C(C)(C)C)=CC=2)CC1
• CAS DataBase Reference: 50679-08-8(CAS DataBase Reference)
• NIST Chemistry Reference: Seldane(50679-08-8)

Description and Uses

Terfenadine has been used to study the role of histamine in itch related to proteinase-activated receptors (PARs) in mice. Terfenadine has also been used to block histamine receptor type 1 to study the pathogenesis of 2,4-dinitrobenzene sulfonic acid (DNBS)-induced ulcerative colitis in rats.

Safety

• Symbol(GHS): GHS07,GHS08,GHS09
• Signal word: Danger
• Hazard statements: H413
• Precautionary statements: P273-P501
• Safety Statements: 24/25
• WGK Germany: 2
• RTECS: TM4969000
• HS Code: 29333999
• Hazardous Substances Data: 50679-08-8(Hazardous Substances Data)
• Toxicity: LD50 orally in mice: >2000 mg/kg (Carr, Meyer)