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(R,S)-ANATABINE

(R,S)-ANATABINE structure

CAS No:
2743-90-0
Formula:
C10H12N2
Chemical Name:
(R,S)-ANATABINE
Synonyms:
(R,S)-ANATABINE;ANATABINE, (+/-)-(RG);(+/-)-Anatabine, 3-(1,2,3,6-Tetrahydropyridin-2-yl)pyridine, 2-(Pyridin-3-yl)-1,2,3,6-tetrahydropyridine;Anatabine, froM Nicotiana tabacuM L.;D,L-ANATABINE;Anatabine, 97%, from Nicotiana tabacum L.;1,2,3,6-Tetrahydro-2,3'-bipyridine 98%;Nicotine USP RC A
Categories:
Analytical Chemistry > Standard

Description

(R,S)-Anatabine is a a minor tobacco alkaloid found in the Solanaceae family of plants that can be used as a specific marker for the detection of tobacco use[1].

(R,S)-Anatabine is a minor alkaloid produced in plants of the Solanaceae family, including tobacco. The detection of (R,S)-anatabine in urine is used as an indicator of tobacco use, particularly when nicotine-containing products (gum, patches, inhalers, and medications) are also being used. (R,S)-Anatabine increases nicotine self-administration and locomotor activity in rats. Of note, (R,S)-anatabine diminishes amyloid-β productionin vitroandin vivo. (R,S)-Anatabine reduces (600 μg/ml) the transcription and protein levels of β-secretase, lowering the amount of Aβ (1-40) and Aβ (1-42) in a dose dependent manner in SHSY-5Y cells. (R,S)-Anatabine also dose dependently inhibits NF-κB activation.

Light Yellow Oil

(R,S)-ANATABINE Basic Attributes

Molecular Weight：

160.22

Exact Mass：

160.100052

DSSTox ID：

DTXSID30294036

Color/Form：

Light yellow to yellow

HScode：

29399990

Characteristics

PSA：

24.9

XLogP3：

0.89

Appearance：

Light Yellow Oil

Density：

1.045±0.06 g/cm3(Predicted)

Boiling Point：

136

Flash Point：

116.5±24.0 °C

Refractive Index：

1.547

Water Solubility：

6.24 M

Storage Conditions：

Amber Vial, Refrigerator, Under Inert Atmosphere

PKA：

8.84±0.40(Predicted)

Critical Temperature & Pressure：

Amber Vial, Refrigerator, Under Inert Atmosphere

Safety Information

Hazard category：

IRRITANT

wgk germany：

WGK 3

safety instructions：

24/25

Stability/Shelf Life：

Hygroscopic, Light Sensitive

Precautionary statement(s)：

Missing Phrase - N15.00950417-P305 + P351 + P338

Hazard Statements：

25-36

RIDADR：

2810

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(R,S)-ANATABINE Use and Manufacturing

A nicotine metabolite A nicotine (N412420) metabolite. (R,S)-Anatabine is a metabolite of Nicotine (N412420).

Computed Properties

Molecular Weight:160.22
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:160.100048391
Monoisotopic Mass:160.100048391
Topological Polar Surface Area:24.9
Heavy Atom Count:12
Complexity:165
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(R,S)-ANATABINE

CAS No.: 2743-90-0

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(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine

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CAS No.: 2743-90-0

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Guide of (R,S)-ANATABINE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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