EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3738 - clemastine

ChEBI IDCHEBI:3738
ChEBI Nameclemastine
Stars
Definition2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.
Secondary ChEBI IDCHEBI:569763
Last Modified22 February 2017
DownloadsMolfile

FormulaC21H26ClNO
Net Charge0
Average Mass343.898
Monoisotopic Mass343.17029
SMILES[H][C@]1(CCO[C@](C)(c2ccccc2)c2ccc(Cl)cc2)CCCN1C
InChIInChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
InChIKeyYNNUSGIPVFPVBX-NHCUHLMSSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
INNs  Source
clemastineChemIDplus
clemastina  esChemIDplus
clemastinum  laChemIDplus
Synonyms  Source
ClemastineKEGG COMPOUND
(+)-(2R)-2-(2-(((R)-p-chloro-α-methyl-α-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidineChemIDplus
(+)-(2R)-2-[2-[[(R)-p-chloro-α-methyl-α-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidineNIST Chemistry WebBook
Manual XrefsDatabases
C06913KEGG COMPOUND
D03535KEGG DRUG
DB00283DrugBank
GB942152Patent
ClemastineWikipedia
LSM-2655LINCS
671DrugCentral
Registry NumbersSources
Beilstein:6486432Beilstein
CAS:15686-51-8KEGG COMPOUND
CAS:15686-51-8ChemIDplus
CAS:15686-51-8NIST Chemistry WebBook
Citations