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CHEBI:175049 - Codeine N-oxide

ChEBI IDCHEBI:175049
ChEBI NameCodeine N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21NO4
Net Charge0
Average Mass315.369
Monoisotopic Mass315.14706
SMILES[H][C@@]12C=C[C@H](O)[C@]3([H])Oc4c(OC)ccc5c4[C@]13CC[N@+](C)([O-])[C@]2([H])C5
InChIInChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19-/m0/s1
InChIKeyBDLSDHWCOJPHIE-KFUGMXNISA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Codeine N-oxide (CHEBI:175049) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
(3S,4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzouro[3,2-e]isoquinolin-3-ium-7-ol
Manual XrefsDatabases
DB01568DrugBank
4514400ChemSpider