Preferred Name |
Bisacodyl |
|
Synonyms |
Bisacodyl dulcolax DULCOLAX (TN) brocalax |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_3125 |
|
charge |
0 |
|
database_cross_reference |
KEGG:D00245 Drug_Central:375 CAS:603-50-9 LINCS:LSM-2883 |
|
formula |
C22H19NO4 |
|
has_alternative_id |
CHEBI:92700 |
|
has_exact_synonym |
Bisacodyl |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
dulcolax DULCOLAX (TN) brocalax |
|
id |
CHEBI:3125 |
|
in_subset | ||
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 |
|
label |
Bisacodyl |
|
mass |
361.391 |
|
monoisotopicmass |
361.13141 |
|
notation |
CHEBI:3125 |
|
prefLabel |
Bisacodyl |
|
smiles |
CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3 |
|
treeView | ||
subClassOf |
Create mapping