Cotinine

Base Information

Chemical Name:Cotinine
CAS No.:486-56-6
Molecular Formula:C10H12 N2 O
Molecular Weight:176.218
Hs Code.:29333990
European Community (EC) Number:207-634-9
NSC Number:756704
UNII:K5161X06LL
DSSTox Substance ID:DTXSID1047576
Nikkaji Number:J6.013E
Wikipedia:Cotinine
Wikidata:Q421177
NCI Thesaurus Code:C70941
Metabolomics Workbench ID:65144
ChEMBL ID:CHEMBL578211
Mol file:486-56-6.mol

Synonyms:Cotinine;Scotine

Suppliers and Price of Cotinine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Cotinine
500ul
$ 279.00

Usbiological
Cotinine
1mg
$ 503.00

TRC
S-(-)-Cotinine
1g
$ 140.00

SynQuest Laboratories
S-(-)-Cotinine
1 g
$ 948.00

SynQuest Laboratories
S-(-)-Cotinine
250 mg
$ 392.00

Sigma-Aldrich
Nicotine Related Compound C United States Pharmacopeia (USP) Reference Standard
20mg
$ 1160.00

Sigma-Aldrich
(?)-Cotinine analytical standard
25mg
$ 62.10

Sigma-Aldrich
(?)-Cotinine solution 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material, Cerilliant?
1 mL
$ 20.90

Sigma-Aldrich
(?)-Cotinine solution 1.0mg/mL in methanol, ampule of 1mL, certified reference material
016-1ml
$ 20.30

Sigma-Aldrich
(?)-Cotinine ≥98%
1g
$ 214.00

Total 74 raw suppliers

Chemical Property of Cotinine

Chemical Property:

Vapor Pressure:0.000421mmHg at 25°C
Melting Point:40-42 °C(lit.)
Refractive Index:1.7110 (estimate)
Boiling Point:250 °C150 mm Hg(lit.)
PKA:4.72±0.12(Predicted)
Flash Point:>230 °F
PSA：33.20000
Density:1.146g/cm³
LogP:1.31280
Storage Temp.:2-8°C
Solubility.:Chloroform (Sparingly), DMSO (Slightly), Methanol (Sparingly)
Water Solubility.:Not miscible or difficult to mix in water. Soluble in dimethyl sulfoxide (100 mM), ethanol (50 mg/ml, yielding a clear, faint ye
XLogP3:-0.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.094963011
Heavy Atom Count:13
Complexity:205

Purity/Quality:

97% ^*data from raw suppliers

Cotinine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn,Xi,T,F
Statements: 22-36/37/38-39/23/24/25-23/24/25-11
Safety Statements: 7-16-36/37-45-36-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(CCC1=O)C2=CN=CC=C2
Isomeric SMILES:CN1[C@@H](CCC1=O)C2=CN=CC=C2
Recent NIPH Clinical Trials:Intervention study to decrease the environmental exposure to tobacco smoke in children
General Description (-)-Cotinine, also known as (S)-Cotinine or NIH 10498, is a major metabolite of nicotine formed via CYP2A6-mediated oxidation, playing a key role in nicotine metabolism. Studies indicate that CYP2A6 is the primary enzyme responsible for nicotine C-oxidation, with variants like CYP2A6.7 and CYP2A6.10 showing reduced catalytic efficiency. In mice, CYP2A5 (the ortholog of human CYP2A6) similarly mediates cotinine formation, supporting the use of murine models for studying nicotine metabolism inhibitors. Cotinine's production is enantioselective, with CYP2A6 variants generally maintaining consistent metabolic preferences despite altered kinetic parameters. Its clearance and formation are significantly influenced by genetic polymorphisms in CYP2A6, impacting individual differences in nicotine metabolism and associated health outcomes.

Technology Process of Cotinine

There total 21 articles about Cotinine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.4%