[CAS NO. 3734-33-6] Denatonium benzoate

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PRODUCTS SPECIFICATIONS [3734-33-6]

Catalog

HY-B1146

Brand

MCE

CAS

3734-33-6

DESCRIPTION [3734-33-6]

Overview

MDL	MFCD00031578
Molecular Weight	446.58
Molecular Formula	C28H34N2O3
SMILES	CC[N+](CC)(CC(NC1=C(C)C=CC=C1C)=O)CC2=CC=CC=C2.O=C([O-])C3=CC=CC=C3

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

Summary

Denatonium benzoate (THS-839) is the most bitter chemical compound known,used as aversive agents (bitterants) to prevent inappropriate ingestion. Denatonium benzoate (THS-839) is used in denatured alcohol, antifreeze, nail biting preventions, respirator mask fit-testing, animal repellents, liquid soaps, and shampoos.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase
NCT03985865	Universitaire Ziekenhuizen KU Leuven	Obesity	March 2, 2017	Phase 4
NCT02759926	Universitaire Ziekenhuizen KU Leuven	Healthy\|Obesity	August 2011	Not Applicable
NCT03777787	Universitaire Ziekenhuizen KU Leuven	Gastro Esophageal Reflux	January 14, 2019	Not Applicable

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°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:

H ₂ O : 20 mg/mL ( 44.78 mM ; Need ultrasonic)

DMSO : 20 mg/mL ( 44.78 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.2392 mL	11.1962 mL	22.3924 mL
5 mM	0.4478 mL	2.2392 mL	4.4785 mL
10 mM	0.2239 mL	1.1196 mL	2.2392 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: PBS

Solubility: 33.33 mg/mL (74.63 mM); Clear solution; Need ultrasonic
2.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 2 mg/mL (4.48 mM); Clear solution

* All of the co-solvents are available by MCE.

Synonyms

Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)

Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate

Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate

Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate

THS 839

Bitrex

Denatonium benzoate

Win 16568

Lignocaine benzyl benzoate

Anispray

Gori

ECX 95BY

NSC 157658

N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate

Aversion

Bitterant Bitrex PG