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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10N2O
Molecular Weight 162.1885
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMETHYLCOTININE

SMILES

O=C1CC[C@H](N1)C2=CN=CC=C2

InChI

InChIKey=FXFANIORDKRCCA-QMMMGPOBSA-N
InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H10N2O
Molecular Weight 162.1885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
A validated method for the determination of nicotine, cotinine, trans-3'-hydroxycotinine, and norcotinine in human plasma using solid-phase extraction and liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry.
2006-06
Determination of nicotine and four metabolites in the serum of smokers by high-performance liquid chromatography with ultraviolet detection.
1993-11-24
Disposition of nicotine and eight metabolites in smokers and nonsmokers: identification in smokers of two metabolites that are longer lived than cotinine.
1990-12
A new quantitative thermospray LC-MS method for nicotine and its metabolites in biological fluids.
1990-10
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:01:18 GMT 2025
Edited
by admin
on Mon Mar 31 19:01:18 GMT 2025
Record UNII
8QA8709E9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-DEMETHYLCOTININE
Preferred Name English
DEMETHYLCOTININE
Common Name English
2-PYRROLIDINONE, 5-(3-PYRIDINYL)-, (5S)-
Systematic Name English
NORCOTININE
Common Name English
Code System Code Type Description
PUBCHEM
92223
Created by admin on Mon Mar 31 19:01:18 GMT 2025 , Edited by admin on Mon Mar 31 19:01:18 GMT 2025
PRIMARY
CAS
5980-06-3
Created by admin on Mon Mar 31 19:01:18 GMT 2025 , Edited by admin on Mon Mar 31 19:01:18 GMT 2025
PRIMARY
FDA UNII
8QA8709E9J
Created by admin on Mon Mar 31 19:01:18 GMT 2025 , Edited by admin on Mon Mar 31 19:01:18 GMT 2025
PRIMARY