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CHEBI:63799 - 4-hydroxytolbutamide

ChEBI IDCHEBI:63799
ChEBI Name4-hydroxytolbutamide
Stars
DefinitionA urea that consists of 1-butylurea having a 4-hydroxymethylbenzenesulfonyl group attached at the 3-position.
Last Modified1 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC12H18N2O4S
Net Charge0
Average Mass286.353
Monoisotopic Mass286.09873
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)
InChIKeySJRHYONYKZIRPM-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxytolbutamide (CHEBI:63799) has role metabolite (CHEBI:25212)
4-hydroxytolbutamide (CHEBI:63799) is a benzyl alcohols (CHEBI:22743)
4-hydroxytolbutamide (CHEBI:63799) is a sulfonamide (CHEBI:35358)
4-hydroxytolbutamide (CHEBI:63799) is a ureas (CHEBI:47857)
IUPAC Name 
N-(butylcarbamoyl)-4-(hydroxymethyl)benzenesulfonamide
Synonyms  Source
HydroxymethyltolbutamideChemIDplus
MethylhydroxytolbutamideChemIDplus
HydroxytolbutamideChemIDplus
1-Butyl-3-(4-hydroxymethylphenyl)sulfonylureaChemIDplus
Manual XrefsDatabases
HMDB0006408HMDB
Registry NumbersSources
Reaxys:2867981Reaxys
CAS:5719-85-7ChemIDplus
Citations