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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol
ChEBI ID CHEBI:29109
ChEBI ASCII Name (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:67, CHEBI:18462, CHEBI:11085
Supplier Information
Download Molfile XML SDF
Formula C17H27NO3
Net Charge 0
Average Mass 293.40120
Monoisotopic Mass 293.199
InChI InChI=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
InChIKey LGXDICLRWHYEIS-UHFFFAOYSA-N
SMILES CC(C)(C)NCC(O)COc1cccc2C(O)CCCc12
ChEBI Ontology
Outgoing (±)-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 (±)-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 Sources
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol KEGG COMPOUND
(+/-)-5-[(tert-butylaminol)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol ChEBI
(+/-)-Dihydrobunolol KEGG COMPOUND
Dihydrobunolol
Note: (2004-07-30) The compound was named dihydrobunolol by F.-J. Leinweber et al., Xenobiotica, 1972, 2(2), 191-202.
ChemIDplus
Manual Xref Database
C04875 KEGG COMPOUND
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Registry Number Type Source
38947-37-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014