U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C10H14N2O
Molecular Weight 178.231
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOTINE N'-OXIDE

SMILES

[H][C@]1(CCC[N+]1(C)[O-])C2=CC=CN=C2

InChI

InChIKey=RWFBQHICRCUQJJ-NUHJPDEHSA-N
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

HIDE SMILES / InChI

Molecular Formula C10H14N2O
Molecular Weight 178.231
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:51:42 UTC 2023
Edited
by admin
on Sat Dec 16 18:51:42 UTC 2023
Record UNII
9R173T257I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICOTINE N'-OXIDE
Systematic Name English
NICOTINE RELATED COMPOUND E [USP IMPURITY]
Common Name English
N-OXYNICOTINE
Common Name English
S-(-)-NICOTINE-1'-N-OXIDE
Common Name English
NICOTINE 1'-N-OXIDE
Common Name English
(1RS,2S)-1-METHYL-2-(PYRIDIN-3-YL)PYRROLIDINE 1-OXIDE
Systematic Name English
(-)-NICOTINE 1'-OXIDE
Common Name English
PYRIDINE, 3-((2S)-1-METHYL-1-OXIDO-2-PYRROLIDINYL)-
Systematic Name English
NICOTINE, 1'-OXIDE
Common Name English
NICOTINE RESINATE IMPURITY E [EP IMPURITY]
Common Name English
NICOTINE DITARTRATE DIHYDRATE IMPURITY E [EP IMPURITY]
Common Name English
NICOTINE IMPURITY E [EP IMPURITY]
Common Name English
S-NICOTINE-N-OXIDE
Common Name English
Code System Code Type Description
CHEBI
142659
Created by admin on Sat Dec 16 18:51:42 UTC 2023 , Edited by admin on Sat Dec 16 18:51:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID70867021
Created by admin on Sat Dec 16 18:51:42 UTC 2023 , Edited by admin on Sat Dec 16 18:51:42 UTC 2023
PRIMARY
CAS
491-26-9
Created by admin on Sat Dec 16 18:51:42 UTC 2023 , Edited by admin on Sat Dec 16 18:51:42 UTC 2023
PRIMARY
PUBCHEM
68107
Created by admin on Sat Dec 16 18:51:42 UTC 2023 , Edited by admin on Sat Dec 16 18:51:42 UTC 2023
PRIMARY
FDA UNII
9R173T257I
Created by admin on Sat Dec 16 18:51:42 UTC 2023 , Edited by admin on Sat Dec 16 18:51:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP