EMBL-EBI | Chemical Biology | ChEBI

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

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
Roles Classification
Application:
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
ChEBI Ontology
Outgoing Relation(s)
Ebastine (CHEBI:31528) has role antispasmodic drug (CHEBI:53784)
Ebastine (CHEBI:31528) is a organic molecular entity (CHEBI:50860)
INN  Source
ebastinaWHO MedNet
Synonyms  Source
bastelDrugCentral
ebastelDrugCentral
ebastinDrugCentral
EbastineKEGG COMPOUND
erostinDrugCentral
kestineDrugCentral
Manual XrefsDatabases
977DrugCentral
D01478KEGG DRUG
HMDB0060159HMDB
Registry NumbersSources
CAS:90729-43-4KEGG COMPOUND
Citations