Terfenadine, (S)-
Basic information
- CAS
126588-96-3- Standard SMILES
CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
GUGOEEXESWIERI-PMERELPUSA-N- Molecular formula
- C32H41NO2
- Average molar mass
- 471.7 g/mol
- Monoisotopic mass
- 471.31372955
Names & identifiers
- Preferred name
- Terfenadine, (S)-
- IUPAC
- (1S)-1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
Names & synonyms
Terfenadine, (S)-Terfenadine, (-)-(S)-(-)-Terfenadine5LZN78857B126588-96-31-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-, (alphaS)-1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-, (S)-1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-, (.ALPHA.S)-1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-, (S)-RefChem:203230UNII-5LZN78857BCHEMBL432527
Show more names
CAS-50679-08-8Lopac-T-9652SCHEMBL5998456GUGOEEXESWIERI-PMERELPUSA-NBDBM50421337NCGC00016064-01NCGC00016064-02NCGC00016064-07
Database identifiers
- CAS
126588-96-3- PubChem CID
- 6604035
- ChEMBL
CHEMBL432527- UNII
- 5LZN78857B
- Nikkaji
- J434.879F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 582
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Chemistry & industry
Pharmacology
Metabolism/MetabolitesTerfenadine has known human metabolites that include hydroxyterfenadine and azacyclonol.
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Related reactions
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Compound notes
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