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经验公式(希尔记法):
C10H12N2O2
化学文摘社编号:
分子量:
192.21
UNSPSC Code:
12352200
MDL number:
NACRES:
NA.21
InChI key
XOKCJXZZNAUIQN-DTWKUNHWSA-N
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
SMILES string
CN1[C@@H](C[C@@H](O)C1=O)C=2C=CC=NC2
biological source
synthetic
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
Quality Level
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
存储类别
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
法规信息
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