EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:29109 - (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol

Default Structure
ChEBI IDCHEBI:29109
ChEBI Name(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol
Stars
ASCII Name(+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol
Secondary ChEBI IDsCHEBI:67, CHEBI:11085, CHEBI:18462
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H27NO3
Net Charge0
Average Mass293.407
Monoisotopic Mass293.19909
SMILESCC(C)(C)NCC(O)COc1cccc2c1CCCC2O
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,15,18-20H,4,7-8,10-11H2,1-3H3
InChIKeyLGXDICLRWHYEIS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol (CHEBI:29109) is a naphthols (CHEBI:25392)
(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol (CHEBI:29109) is conjugate base of (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+) (CHEBI:58611)
Incoming Relation(s)
(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+) (CHEBI:58611) is conjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol (CHEBI:29109)
IUPAC Name 
5-[rac-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
Synonyms  Source
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphtholKEGG COMPOUND
(+/-)-5-[(tert-butylaminol)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphtholChEBI
(+/-)-DihydrobunololKEGG COMPOUND
DihydrobunololChemIDplus
Manual XrefsDatabases
C04875KEGG COMPOUND
Registry NumbersSources
CAS:38947-37-4ChemIDplus