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CHEBI:59052 - 1,1-dihydroxy-3-ethoxy-2-butanone

ChEBI IDCHEBI:59052
ChEBI Name1,1-dihydroxy-3-ethoxy-2-butanone
Stars
DefinitionA butanone derivative having two hydroxy substituents at the 1-position and an ethoxy substituent at the 3-position.
Last Modified22 February 2017
DownloadsMolfile
FormulaC6H12O4
Net Charge0
Average Mass148.158
Monoisotopic Mass148.07356
SMILESCCOC(C)C(=O)C(O)O
InChIInChI=1S/C6H12O4/c1-3-10-4(2)5(7)6(8)9/h4,6,8-9H,3H2,1-2H3
InChIKeyYRCRRHNVYVFNTM-UHFFFAOYSA-N
Roles Classification
Application:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
1,1-dihydroxy-3-ethoxy-2-butanone (CHEBI:59052) has role antiinfective agent (CHEBI:35441)
1,1-dihydroxy-3-ethoxy-2-butanone (CHEBI:59052) is a aldehyde hydrate (CHEBI:63733)
1,1-dihydroxy-3-ethoxy-2-butanone (CHEBI:59052) is a butanone (CHEBI:22951)
IUPAC Name 
3-ethoxy-1,1-dihydroxybutan-2-one
INNs  Source
kethoxalSUBMITTER
ketoxalumChemIDplus
Synonyms  Source
3-Ethoxy-1,1-dihydroxy-2-butanoneChemIDplus
ChetossaleChemIDplus
beta-Ethoxy-alpha-ketobutyraldehydeChemIDplus
Manual XrefsDatabases
D04651KEGG DRUG
3202DrugCentral
Registry NumbersSources
Beilstein:8677948Beilstein
CAS:27762-78-3KEGG DRUG
CAS:27762-78-3ChemIDplus