CHEBI:31528 - Ebastine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Ebastine ChEBI ID CHEBI:31528 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C32H39NO2 C32H39NO2 Net Charge 0 Average Mass 469.659 Monoisotopic Mass 469.29808 InChI InChI=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 InChIKey MJJALKDDGIKVBE-UHFFFAOYSA-N SMILES C(OC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)C(C)(C)C)(C3=CC=CC=C3)C4=CC=CC=C4 ChEBI Ontology Outgoing Ebastine (CHEBI:31528) is a organic molecular entity (CHEBI:50860) Synonyms Sources bastel DrugCentral ebastel DrugCentral ebastin DrugCentral Ebastine KEGG COMPOUND erostin DrugCentral kestine DrugCentral Kestine (TN) KEGG COMPOUND Manual Xrefs Databases 977 DrugCentral D01478 KEGG DRUG HMDB0060159 HMDB View more database links Registry Number Type Source 90729-43-4 CAS Registry Number KEGG COMPOUND Last Modified 22 February 2017