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CHEBI:31528 - Ebastine

Default Structure
ChEBI IDCHEBI:31528
ChEBI NameEbastine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC32H39NO2
Net Charge0
Average Mass469.669
Monoisotopic Mass469.29808
SMILESCC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChIKeyMJJALKDDGIKVBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ebastine (CHEBI:31528) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
bastelDrugCentral
ebastelDrugCentral
ebastinDrugCentral
EbastineKEGG COMPOUND
erostinDrugCentral
kestineDrugCentral
Manual XrefsDatabases
977DrugCentral
D01478KEGG DRUG
HMDB0060159HMDB
Registry NumbersSources
CAS:90729-43-4KEGG COMPOUND