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CHEBI:134686 - oxycodone(1+)

ChEBI IDCHEBI:134686
ChEBI Nameoxycodone(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of oxycodone, obtained by protonation of the tertiary amino group of oxycodone.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H22NO4
Net Charge+1
Average Mass316.377
Monoisotopic Mass316.15433
SMILESCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[NH+](C)CC[C@]314
InChIInChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/p+1/t13-,16+,17+,18-/m1/s1
InChIKeyBRUQQQPBMZOVGD-XFKAJCMBSA-O
ChEBI Ontology
Outgoing Relation(s)
oxycodone(1+) (CHEBI:134686) is a ammonium ion derivative (CHEBI:35274)
oxycodone(1+) (CHEBI:134686) is a organic cation (CHEBI:25697)
oxycodone(1+) (CHEBI:134686) is conjugate acid of oxycodone (CHEBI:7852)
Incoming Relation(s)
oxycodone hydrochloride (CHEBI:7859) has part oxycodone(1+) (CHEBI:134686)
oxycodone (CHEBI:7852) is conjugate base of oxycodone(1+) (CHEBI:134686)
IUPAC Name 
(5α,17S)-14-hydroxy-3-methoxy-17-methyl-6-oxo-4,5-epoxymorphinan-17-ium
Synonym  Source
oxycodone cationChEBI