CHEBI:58612 - (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+)

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ChEBI Name (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) ChEBI ID CHEBI:58612 ChEBI ASCII Name (+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) Definition Conjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H26NO3 Net Charge +1 Average Mass 292.39320 Monoisotopic Mass 292.19072 InChI InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/p+1 InChIKey IXHBTMCLRNMKHZ-UHFFFAOYSA-O SMILES CC(C)(C)[NH2+]CC(O)COc1cccc2C(=O)CCCc12 ChEBI Ontology Outgoing (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612) is a ammonium ion derivative (CHEBI:35274) (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612) is conjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one (CHEBI:29110) Incoming (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one (CHEBI:29110) is conjugate base of (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612) IUPAC Name N-tert-butyl-2-hydroxy-3-[(5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-aminium Synonym Source bunolol UniProt Last Modified 18 February 2015