Denatonium benzoate

• CAT Number: I003373
• CAS Number: 3734-33-6
• Molecular Formula: C28H34N2O3
• Molecular Weight: 446.58
• Purity: ≥95%
• Solubility: 10 mM in DMSO
• Storage: Room Temperature
• IUPAC Name: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate
• InChI: InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
• InChIKey: VWTINHYPRWEBQY-UHFFFAOYSA-N
• SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-]

Denatonium benzoate（Cat No.:I003373） is a quaternary ammonium salt formed by combining quaternary ammonium cations with inert anions such as benzoate ions or saccharin anions. Denatonium benzoate (THS-839) is the most bitter compound known and is often used as an aversive agent (bittering agent) to prevent inappropriate ingestion.