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CHEBI:135673 - rupatadine

ChEBI IDCHEBI:135673
ChEBI Namerupatadine
Stars
Last Modified23 February 2017
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FormulaC26H26ClN3
Net Charge0
Average Mass415.968
Monoisotopic Mass415.18153
SMILESCc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
InChIInChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3
InChIKeyWUZYKBABMWJHDL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
rupatadine (CHEBI:135673) is a benzocycloheptapyridine (CHEBI:48593)
Synonyms  Source
alergoliberDrugCentral
rinialerDrugCentral
pafinurDrugCentral
rupafinDrugCentral
rupaxDrugCentral
Manual XrefsDatabases
2413DrugCentral
HMDB0240234HMDB
Registry NumbersSources
CAS:158876-82-5DrugCentral