CHEBI:165189 - Carboxytolbutamide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Carboxytolbutamide
ChEBI ID CHEBI:165189
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H16N2O5S
Net Charge 0
Average Mass 300.330
Monoisotopic Mass 300.07799
InChI InChI=1S/C12H16N2O5S/c1-2-3-8-13-12(17)14-20(18,19)10-6-4-9(5-7-10)11(15)16/h4-7H,2-3,8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKey GCMVATDSSHTCOS-UHFFFAOYSA-N
SMILES S(=O)(=O)(NC(=O)NCCCC)C1=CC=C(C=C1)C(O)=O
ChEBI Ontology
Outgoing Carboxytolbutamide (CHEBI:165189) is a sulfonamide (CHEBI:35358)
IUPAC Name
4-(butylcarbamoylsulamoyl)benzoic acid
Manual Xrefs Databases
140373 ChemSpider
HMDB0041849 HMDB
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Registry Number Type Source
2224-10-4 CAS Registry Number ChemIDplus