delta-Valerobetaine-d₉ chloride

Cat. No.: HY-114202S Purity: ≥98.0%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

delta-Valerobetaine-d₉ chlorideis the deuterium labeleddelta-Valerobetaine(HY-114202). delta-Valerobetaine is a precursor of trimethylamine N-oxide (TMAO).

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

delta-Valerobetaine-d<sub>9</sub> chloride Chemical Structure

delta-Valerobetaine-d₉ chloride Chemical Structure

CAS No. : 85806-18-4

Size	Price	Stock	Quantity
1 mg	USD 380	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 1280	In-stock	Estimated Time of Arrival: December 31
10 mg		Get quote
50 mg		Get quote

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Other Forms of delta-Valerobetaine-d₉ chloride:

delta-Valerobetaine In-stock

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Biological Activity
Purity & Documentation
References
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Description

delta-Valerobetaine-d₉ chlorideis the deuterium labeleddelta-Valerobetaine(HY-114202)^[1]. delta-Valerobetaine is a precursor of trimethylamine N-oxide (TMAO)^[2].

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

204.74

Formula

C₈H₉D₉ClNO₂

CAS No.

85806-18-4

Unlabeled CAS

6778-33-2

Appearance

Solid

Color

White to off-white

SMILES

OC(CCCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O.[Cl-]

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

-20°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

H₂O : 50 mg/mL (244.21 mM; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	4.8842 mL	24.4212 mL	48.8424 mL
5 mM	0.9768 mL	4.8842 mL	9.7685 mL
10 mM	0.4884 mL	2.4421 mL	4.8842 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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Dilution Calculator

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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Calculation results:

Working solution concentration: mg/mL

This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only.If necessary, please contact MedChemExpress (MCE).

Purity & Documentation

Purity: ≥98.0%

Select Batch:

Data Sheet (272 KB) SDS (252 KB)

COA (250 KB) HNMR (245 KB)

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

H₂O	1 mM	4.8842 mL	24.4212 mL	48.8424 mL	122.1061 mL
	5 mM	0.9768 mL	4.8842 mL	9.7685 mL	24.4212 mL
	10 mM	0.4884 mL	2.4421 mL	4.8842 mL	12.2106 mL
	15 mM	0.3256 mL	1.6281 mL	3.2562 mL	8.1404 mL
	20 mM	0.2442 mL	1.2211 mL	2.4421 mL	6.1053 mL
	25 mM	0.1954 mL	0.9768 mL	1.9537 mL	4.8842 mL
	30 mM	0.1628 mL	0.8140 mL	1.6281 mL	4.0702 mL
	40 mM	0.1221 mL	0.6105 mL	1.2211 mL	3.0527 mL
	50 mM	0.0977 mL	0.4884 mL	0.9768 mL	2.4421 mL
	60 mM	0.0814 mL	0.4070 mL	0.8140 mL	2.0351 mL
	80 mM	0.0611 mL	0.3053 mL	0.6105 mL	1.5263 mL
	100 mM	0.0488 mL	0.2442 mL	0.4884 mL	1.2211 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.