Denatonium benzoate

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Catalog Number CBB1111662
Alternative Name(s) Benzyldiethyl(2,6-xylyl-carbamoyl-methyl)-ammonium benzoate; THS 839; N,N-Diethyl-N-[(2,6-dimethylphenyl-carbamoyl)-methyl]-benzyl-ammonium benzoate
Molecular Formula C21H29N2O ยท C7H5O2
CAS# 3734-33-6
Purity >98%
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)
Inchi Key VWTINHYPRWEBQY-UHFFFAOYSA-N
SMILES [O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc2c(C)cccc2C)Cc3ccccc3
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