CHEBI:135780 - otilonium bromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name otilonium bromide
ChEBI ID CHEBI:135780
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H43N2O4
Net Charge +1
Average Mass 483.664
Monoisotopic Mass 483.32173
InChI InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1
InChIKey NQHNLNLJPDMBFN-UHFFFAOYSA-O
SMILES O(CCCCCCCC)C1=C(C(NC2=CC=C(C=C2)C(OCC[N+](CC)(CC)C)=O)=O)C=CC=C1
ChEBI Ontology
Outgoing otilonium bromide (CHEBI:135780) is a benzamides (CHEBI:22702)
Synonyms Sources
octylonium bromide DrugCentral
otilonium DrugCentral
Manual Xref Database
2003 DrugCentral
View more database links
Registry Number Type Source
26095-59-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017