rac-Cotinine-13C,d3
Product Code
TRC-C725007
CAS Number
Product Format
Neat
Molecular Formula
13C C9 D3 H9 N2 O
Molecular Weight
180.226
API Family
NicotineProduct Categories
Nicotine and related compounds, TRC, Reference Materials for Smoking-Related Substances , Impurity Reference Materials , Carcinogens, Stable isotopes, Stable isotopes, Stable Isotope Labelled Analytical Standards
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
rac-Cotinine-13C,d3
CAS Number
1215842-75-3
Molecular Formula
13C C9 D3 H9 N2 O
Molecular Weight
180.226
Accurate Mass
180.1171
SMILES
[2H][13C]([2H])([2H])N1C(CCC1=O)c2cccnc2
InChI
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1+1D3
IUPAC
5-(3-pyridyl)-1-(trideuterio(1^{13}C)methyl)pyrrolidin-2-one
Unlabelled CAS Number
15569-85-4
SIL Type
Carbon, Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
API Family
Product Description
A labelled major metabolite of nicotine in humans. Carcinogen.
References: Sugasawa, S., et al.: Pharma. Bull., et al.: 2, 39 (1954), Thompson, J.A., et al.: J. Chromatog., 231, 53 (1982); Seeman, J.I., et al.: J. Org. Chem., 51, 1548 (1986)