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CHEBI:61153 - clenbuterol(1+)

ChEBI IDCHEBI:61153
ChEBI Nameclenbuterol(1+)
Stars
DefinitionThe ammonium ion that is the conjugate acid of clenbuterol, formed by protonation of the secondary amine nitrogen atom.
Last Modified1 February 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H19Cl2N2O
Net Charge+1
Average Mass278.203
Monoisotopic Mass277.08690
SMILESCC(C)(C)[NH2+]CC(O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/p+1
InChIKeySTJMRWALKKWQGH-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
clenbuterol(1+) (CHEBI:61153) is a ammonium ion derivative (CHEBI:35274)
clenbuterol(1+) (CHEBI:61153) is conjugate acid of clenbuterol (CHEBI:174690)
Incoming Relation(s)
clenbuterol hydrochloride (CHEBI:31410) has part clenbuterol(1+) (CHEBI:61153)
clenbuterol (CHEBI:174690) is conjugate base of clenbuterol(1+) (CHEBI:61153)