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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:3125 - Bisacodyl
Main
ChEBI Ontology
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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
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Formulae
C22H19NO4
C22H19NO4
Net Charge
0
Average Mass
361.391
Monoisotopic Mass
361.13141
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