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Details

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

SHOW SMILES / InChI
Structure of NICOTINE N'-OXIDE, (1'S,2'S)-

SMILES

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

InChI

InChIKey=RWFBQHICRCUQJJ-JQWIXIFHSA-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 09:46:14 UTC 2023
Edited
by admin
on Sat Dec 16 09:46:14 UTC 2023
Record UNII
6V35J35GP5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICOTINE N'-OXIDE, (1'S,2'S)-
Common Name English
PYRIDINE, 3-((1S,2S)-1-METHYL-1-OXIDO-2-PYRROLIDINYL)-
Systematic Name English
(1'S,2'S)-TRANS-NICOTINE-1'-N-OXIDE
Common Name English
NICOTINE-CIS-N-OXIDE
Common Name English
(1S,2S)-SYN-NICOTINE N'-OXIDE
Common Name English
3-((1S,2S)-1-METHYL-1-OXIDO-2-PYRROLIDINYL)PYRIDINE
Systematic Name English
NICOTINE-CIS-N-OXIDE, (+)-
Common Name English
Code System Code Type Description
FDA UNII
6V35J35GP5
Created by admin on Sat Dec 16 09:46:15 UTC 2023 , Edited by admin on Sat Dec 16 09:46:15 UTC 2023
PRIMARY
PUBCHEM
12313859
Created by admin on Sat Dec 16 09:46:15 UTC 2023 , Edited by admin on Sat Dec 16 09:46:15 UTC 2023
PRIMARY
CAS
51095-86-4
Created by admin on Sat Dec 16 09:46:15 UTC 2023 , Edited by admin on Sat Dec 16 09:46:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
75% is converted into cotintine which is further metabolized.
MAJOR
PLASMA; URINE
PARENT -> METABOLITE
in animals both N-oxide isomers form, in humans only the transisomers form.
MAJOR
URINE