CHEBI:3125 - Bisacodyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bisacodyl
ChEBI ID CHEBI:3125
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:92700
Supplier Information
Download Molfile XML SDF
Formulae C22H19NO4
C22H19NO4
Net Charge 0
Average Mass 361.391
Monoisotopic Mass 361.131
InChI InChI=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
InChIKey KHOITXIGCFIULA-UHFFFAOYSA-N
SMILES CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3
ChEBI Ontology
Outgoing Bisacodyl (CHEBI:3125) is a diarylmethane (CHEBI:51614)
Synonyms Sources
Bisacodyl KEGG COMPOUND
brocalax DrugCentral
dulcolax DrugCentral
DULCOLAX (TN) KEGG COMPOUND
Manual Xrefs Databases
375 DrugCentral
D00245 KEGG DRUG
LSM-2883 LINCS
View more database links
Registry Number Type Source
603-50-9 CAS Registry Number DrugCentral
Last Modified
06 March 2017