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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-05-23 05:49:20 UTC
Update Date2020-02-26 21:26:23 UTC
HMDB IDHMDB0006408
Secondary Accession Numbers
  • HMDB0060976
  • HMDB06408
  • HMDB60976
Metabolite Identification
Common Name4-Hydroxy tolbutamide
Description4-Hydroxy tolbutamide belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. 4-Hydroxy tolbutamide is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on 4-Hydroxy tolbutamide.
Structure
Thumb
Synonyms
ValueSource
1-Butyl-3-(4-hydroxymethylphenyl)sulfonylureaChEBI
HydroxymethyltolbutamideChEBI
HydroxytolbutamideChEBI
MethylhydroxytolbutamideChEBI
1-Butyl-3-(4-hydroxymethylphenyl)sulphonylureaGenerator
4 Hydroxy tolbutamideHMDB
4-HydroxytolbutamideHMDB
N-((butylamino)Carbonyl)-4-(hydroxymethyl)benzenesulfonamideMeSH, HMDB
Chemical FormulaC12H18N2O4S
Average Molecular Weight286.347
Monoisotopic Molecular Weight286.098727764
IUPAC Name3-butyl-1-[4-(hydroxymethyl)benzenesulfonyl]urea
Traditional Namehydroxytolbutamide
CAS Registry Number1185112-19-9
SMILES
CCCCNC(=O)NS(=O)(=O)C1=CC=C(CO)C=C1
InChI Identifier
InChI=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)
InChI KeySJRHYONYKZIRPM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonamides
Direct ParentBenzenesulfonamides
Alternative Parents
Substituents
  • Benzenesulfonamide
  • Benzenesulfonyl group
  • Benzyl alcohol
  • Sulfonylurea
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Sulfonyl
  • Aminosulfonyl compound
  • Carbonic acid derivative
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary alcohol
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023913
KNApSAcK IDNot Available
Chemspider ID3529
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG ID2299999
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3656
PDB IDNot Available
ChEBI ID63799
Food Biomarker OntologyNot Available
VMH ID4MTOLBUTAMIDE
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available