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SMB01401

Sigma-Aldrich

Hydroxycotinine

new

≥95%

Synonym(s):

(3′R,5′S)-3′-Hydroxycotinine, (3S-trans)-3-Hydroxycotinine, trans-3-Hydroxycotinine, Alkaloids, Metabolites, Nicotine

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About This Item

Empirical Formula (Hill Notation):
C10H12N2O2
CAS Number:
34834-67-8
Molecular Weight:
192.21
MDL number:
MFCD01320408
UNSPSC Code:
12352200

biological source

synthetic

Quality Level

100

Assay

≥95%

form

powder or crystals

color

white to light off-white

mp

108-110 °C

solubility

acetonitrile: soluble
chloroform: soluble
methanol: soluble

application(s)

cell analysis
clinical research
general analytical
life science and biopharma
metabolomics

storage temp.

2-8°C

SMILES string

CN1[C@@H](C[C@@H](O)C1=O)C=2C=CC=NC2

InChI

InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1

InChI key

XOKCJXZZNAUIQN-DTWKUNHWSA-N

General description

Hydroxycotinine, also known as trans-3′-Hydroxycotinine, is an alkaloid and a cotinine derivative with a hydroxy group substitution at the C-3 position (the 3R,5S-diastereomer). It is functionally related to (-)-cotinine. Hydroxycotinine is classified as an N-alkylpyrrolidine, a member of the pyridines, a pyrrolidine alkaloid, and a member of the pyrrolidin-2-ones. It is a product of CYP2A6 metabolism of the primary nicotine metabolite, cotinine, and serves as a biomarker of nicotine metabolism, holding significant importance in various scientific research applications.

Application

Hydroxycotinine finds application in compound screening libraries, metabolomics, biochemical, phytochemical, and drug discovery research.

Features and Benefits

Versatile and adaptable for wide variety of research and metabolomics applications.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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