Chemical Properties of Terfenadine (CAS 50679-08-8)

InChI

InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3

InChI Key

GUGOEEXESWIERI-UHFFFAOYSA-N

Formula

C32H41NO2

SMILES

CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

Molecular Weight¹

471.67

CAS

50679-08-8

Other Names

• (.+/-.)-Terfenadine
• 1-Piperidinebutanol, «alpha»-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-
• 1-Piperidinebutanol, «alpha»-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-
• Aldaban
• Allerplus
• Cyater
• MDL-9918
• Nebralin
• RMI 9918
• Seldane
• Teldane
• Teldanex
• Terdin
• Terfex
• Ternadin
• Triludan
• «alpha»-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
• «alpha»-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
• «alpha»-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol (terfenadine)
• «alpha»-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
• «alpha»-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
• «alpha»-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol (terfenadine)

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-7.74; -4.87]
log10WS	-4.87		Aq. Sol...
log10WS	-7.74		Aq. Sol...
logPoct/wat	6.446		Crippen Calculated Property
McVol	401.320	ml/mol	McGowan Calculated Property
Tfus	[420.40; 420.40]	K
Tfus	420.40	K	Aq. Sol...
Tfus	420.40	K	Aq. Sol...

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Terfenadine.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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