rel-Hydroxycotinine-d₃

Cat. No.: HY-113239S1: FAQs
Data Sheet Handling Instructions

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rel-Hydroxycotinine-d₃ is deuterated labeled Hydroxycotinine (HY-113239). Hydroxycotinine is the main nicotine metabolite detected in smokers urine.

For research use only. We do not sell to patients.

rel-Hydroxycotinine-d<sub>3</sub> Chemical Structure

rel-Hydroxycotinine-d₃ Chemical Structure

CAS No. : 159956-78-2

Size		Stock
1 mg		Get quote	Estimated Time of Arrival: December 31

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This product is a controlled substance and not for sale in your territory.

Other Forms of rel-Hydroxycotinine-d₃:

Hydroxycotinine Get quote

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Purity & Documentation
References
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Description

rel-Hydroxycotinine-d₃ is deuterated labeled Hydroxycotinine (HY-113239). Hydroxycotinine is the main nicotine metabolite detected in smokers urine.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

195.23

Formula

C₁₀H₉D₃N₂O₂

CAS No.

159956-78-2

Unlabeled CAS

34834-67-8

SMILES

O=C1N(C([2H])([2H])[2H])[C@H](C2=CC=CN=C2)C[C@H]1O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Solvent & Solubility

In Vitro:

DMSO : ≥ 30 mg/mL (153.66 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	5.1222 mL	25.6108 mL	51.2216 mL
5 mM	1.0244 mL	5.1222 mL	10.2443 mL
10 mM	0.5122 mL	2.5611 mL	5.1222 mL

View the Complete Stock Solution Preparation Table

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo Dissolution Calculator

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Working solution concentration: mg/mL

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	5.1222 mL	25.6108 mL	51.2216 mL	128.0541 mL
	5 mM	1.0244 mL	5.1222 mL	10.2443 mL	25.6108 mL
	10 mM	0.5122 mL	2.5611 mL	5.1222 mL	12.8054 mL
	15 mM	0.3415 mL	1.7074 mL	3.4148 mL	8.5369 mL
	20 mM	0.2561 mL	1.2805 mL	2.5611 mL	6.4027 mL
	25 mM	0.2049 mL	1.0244 mL	2.0489 mL	5.1222 mL
	30 mM	0.1707 mL	0.8537 mL	1.7074 mL	4.2685 mL
	40 mM	0.1281 mL	0.6403 mL	1.2805 mL	3.2014 mL
	50 mM	0.1024 mL	0.5122 mL	1.0244 mL	2.5611 mL
	60 mM	0.0854 mL	0.4268 mL	0.8537 mL	2.1342 mL
	80 mM	0.0640 mL	0.3201 mL	0.6403 mL	1.6007 mL
	100 mM	0.0512 mL	0.2561 mL	0.5122 mL	1.2805 mL