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Fexofenadine

Molecular FormulaC₃₂H₃₉NO₄
Average mass501.656 Da
Monoisotopic mass501.287903 Da
ChemSpider ID3231

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Fexofenadine [Wiki]

Terfenadine carboxylate

2-(4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)phenyl)-2-methylpropionic acid

2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid [ACD/IUPAC Name]

2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropansäure [German] [ACD/IUPAC Name]

2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid

4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-α,α-dimethylbenzeneacetic acid

83799-24-0 [RN]

Acide 2-[4-(1-hydroxy-4-{4-[hydroxy(diphényl)méthyl]-1-pipéridinyl}butyl)phényl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]

benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-a,a-dimethyl-

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Benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl- [ACD/Index Name]

Telfast [Wiki]

[83799-24-0] [RN]

2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid

2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid

2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-piperidin-1-yl)butyl)phenyl)-2-methylpropanoicacid

2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid

2-(4-{1-Hydroxy-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butyl}-phenyl)-2-methyl-propionic acid

2-[4-[(1S)-1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]butyl]phenyl]-2-methylpropanoic acid

2-[4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidyl]butyl]phenyl]-2-methyl-propanoic acid

2-[4-[1-hydroxy-4-[4-(hydroxy-diphenyl-methyl)-1-piperidyl]butyl]phenyl]-2-methyl-propanoic acid

2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid

2-[4-[1-Hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]but

4-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-a,a-dimethyl-benzene-acetic acid

4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-a,a-dimethylphenylacetic acid

548783-71-7 [RN]

5-Methoxy-1-indanone [ACD/IUPAC Name]

83799-24-0 (free base)

Allegra [Trade name] [Wiki]

Allegra®

Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-α,α-dimethyl-

Carboxyterfenadine

D07958

DB00950

Fastofen

Fexidine

Fexofenadine (INN)

Fexofenadine D6

FEXOFENADINE-D10

Fexofenadine-d6

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL914/

MFCD00865710 [MDL number]

MFCD00871892 [MDL number]

S-FEXOFENADINE

Telfast (TN)

Vifas

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7469 [DBID]

E6582LOH6V [DBID]

UNII:E6582LOH6V [DBID]

6832242 [DBID]

C06999 [DBID]

EPA Pesticide Chemical Code 079011 [DBID]

EU-0100488 [DBID]

F9427_SIGMA [DBID]

KBio2_002449 [DBID]

KBio2_005017 [DBID]

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Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties

Experimental Melting Point:

Miscellaneous

Toxicity:

Safety:

R06AX26 Wikidata Q415122
Chemical Class:

A piperidine-based anti-histamine compound. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5050, CHEBI:5050
Therapeutical Effect:

Histamine H1 Antagonists Sean Ekins

Gas Chromatography
- Retention Index (Kovats):
  
  4148 (estimated with error: 89) NIST Spectra mainlib_335271

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.2±0.1 g/cm³
Boiling Point:	697.3±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization:	107.2±3.0 kJ/mol
Flash Point:	375.5±31.5 °C
Index of Refraction:	1.597
Molar Refractivity:	145.9±0.3 cm³
#H bond acceptors:	5
#H bond donors:	3
#Freely Rotating Bonds:	10
#Rule of 5 Violations:	1

ACD/LogP:	4.80
ACD/LogD (pH 5.5):	2.41
ACD/BCF (pH 5.5):	9.83
ACD/KOC (pH 5.5):	34.25
ACD/LogD (pH 7.4):	2.43
ACD/BCF (pH 7.4):	10.33
ACD/KOC (pH 7.4):	35.99
Polar Surface Area:	81 Å²
Polarizability:	57.8±0.5 10^-24cm³
Surface Tension:	52.4±3.0 dyne/cm
Molar Volume:	428.1±3.0 cm³

Click to predict properties on the Chemicalize site

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Fexofenadine

More details:

Experimental Melting Point:

Toxicity:

Safety:

Chemical Class:

Therapeutical Effect:

Retention Index (Kovats):

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