| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:14:48 UTC |
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| Update Date | 2020-05-11 20:24:33 UTC |
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| BMDB ID | BMDB0005030 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Fexofenadine |
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| Description | fexofenadine, also known as terfenadine-COOH or telfast, belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. fexofenadine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on fexofenadine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid | ChEBI | | Carboxyterfenadine | ChEBI | | Terfenadine acid metabolite | ChEBI | | Terfenadine carboxylate | ChEBI | | Terfenadine-COOH | ChEBI | | Telfast | Kegg | | 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-a,a-dimethylbenzeneacetate | Generator | | 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-a,a-dimethylbenzeneacetic acid | Generator | | 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetate | Generator | | 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-α,α-dimethylbenzeneacetate | Generator | | 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-α,α-dimethylbenzeneacetic acid | Generator | | Terfenadine carboxylic acid | Generator | | Allegra | HMDB, MeSH | | Fexofenadine hydrochloride | HMDB, MeSH | | Aventis pharma brand OF fexofenadine hydrochloride | MeSH, HMDB | | MDL 16,455a | MeSH, HMDB | | alpha-(4-(1-Carboxy-1-methylethyl)phenyl)-4-hydroxydiphenylmethyl-1-piperidinebutanol | MeSH, HMDB | | Aventis behring brand OF fexofenadine hydrochloride | MeSH, HMDB | | Aventis brand OF fexofenadine hydrochloride | MeSH, HMDB | | Hoechst brand OF fexofenadine hydrochloride | MeSH, HMDB |
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| Chemical Formula | C32H39NO4 |
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| Average Molecular Weight | 501.6564 |
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| Monoisotopic Molecular Weight | 501.287908741 |
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| IUPAC Name | 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid |
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| Traditional Name | fexofenadine |
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| CAS Registry Number | 83799-24-0 |
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| SMILES | CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
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| InChI Key | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Diphenylmethanes |
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| Direct Parent | Diphenylmethanes |
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| Alternative Parents | |
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| Substituents | - Diphenylmethane
- Phenylbutylamine
- Phenylpropane
- Aralkylamine
- Piperidine
- Tertiary alcohol
- Amino acid or derivatives
- Secondary alcohol
- Amino acid
- Tertiary amine
- Tertiary aliphatic amine
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic nitrogen compound
- Organic oxide
- Amine
- Carbonyl group
- Aromatic alcohol
- Alcohol
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 142.5 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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