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CHEBI:81295 - Metabutethamine

ChEBI IDCHEBI:81295
ChEBI NameMetabutethamine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC13H20N2O2
Net Charge0
Average Mass236.315
Monoisotopic Mass236.15248
SMILESCC(C)CNCCOC(=O)c1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-15-6-7-17-13(16)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9,14H2,1-2H3
InChIKeyBXMFKNRZTLNAFY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Metabutethamine (CHEBI:81295) is a benzoate ester (CHEBI:36054)
Synonym  Source
metabuthamineDrugCentral
Manual XrefsDatabases
C17723KEGG COMPOUND
4658DrugCentral
Registry NumbersSources
CAS:4439-25-2KEGG COMPOUND