CHEBI:142659 - (S)-nicotine N1'-oxide

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ChEBI Name (S)-nicotine N1'-oxide
ChEBI ID CHEBI:142659
ChEBI ASCII Name (S)-nicotine N(1')-oxide
Definition A nicotine N1'-oxide resulting from the oxidation of the pyrrolidine nitrogen of (S)-nicotine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C10H14N2O
Net Charge 0
Average Mass 178.231
Monoisotopic Mass 178.11061
InChI InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12?/m0/s1
InChIKey RWFBQHICRCUQJJ-NUHJPDEHSA-N
SMILES C1=CC([C@]2([N+](CCC2)([O-])C)[H])=CN=C1
ChEBI Ontology
Outgoing (S)-nicotine N1'-oxide (CHEBI:142659) has functional parent (S)-nicotine (CHEBI:17688)
(S)-nicotine N1'-oxide (CHEBI:142659) is a nicotine N1'-oxide (CHEBI:30734)
Incoming cis-(S)-nicotine N1'-oxide (CHEBI:142661) is a (S)-nicotine N1'-oxide (CHEBI:142659)
trans-(S)-nicotine N1'-oxide (CHEBI:142660) is a (S)-nicotine N1'-oxide (CHEBI:142659)
IUPAC Name
3-[(2S)-1-methyl-1-oxidopyrrolidin-2-yl]pyridine
Synonyms Sources
(S)-nicotine N1'-oxide UniProt
N-oxynicotine ChemIDplus
nicotine 1'-N-oxide ChemIDplus
nicotine N'-oxide ChEBI
nicotine-1'-N-oxide ChemIDplus
nicotine-N'-oxide ChemIDplus
NOX SUBMITTER
oxynicotine ChemIDplus
Registry Number Type Source
491-26-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
8117928 PubMed citation Europe PMC
Last Modified
07 December 2018