EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3125 - Bisacodyl

ChEBI IDCHEBI:3125
ChEBI NameBisacodyl
Stars
Secondary ChEBI IDCHEBI:92700
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H19NO4
Net Charge0
Average Mass361.397
Monoisotopic Mass361.13141
SMILESCC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1
InChIInChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
InChIKeyKHOITXIGCFIULA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bisacodyl (CHEBI:3125) is a diarylmethane (CHEBI:51614)
Synonyms  Source
BisacodylKEGG COMPOUND
DULCOLAX (TN)KEGG COMPOUND
dulcolaxDrugCentral
brocalaxDrugCentral
Manual XrefsDatabases
D00245KEGG DRUG
LSM-2883LINCS
375DrugCentral
Registry NumbersSources
CAS:603-50-9KEGG COMPOUND
CAS:603-50-9DrugCentral