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Substance Name: Denatonium acetate
RN: 1995890-04-4
UNII: 8QG4DAT7RW
InChIKey: MRXPBBXBHPUCQZ-UHFFFAOYSA-N

Molecular Formula

  • C21-H29-N2-O.C2-H3-O2

Molecular Weight

  • 384.5118
 
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Names and Synonyms

Name of Substance

  • Denatonium acetate

Synonyms

  • Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, acetate (1:1)
  • Denatonium acetate
  • UNII-8QG4DAT7RW

Registry Numbers

CAS Registry Number

  • 1995890-04-4

FDA UNII

  • 8QG4DAT7RW

System Generated Number

  • 1995890044

Structure Descriptors

InChI

1S/C21H28N2O.C2H4O2/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;1-2(3)4/h7-14H,5-6,15-16H2,1-4H3;1H3,(H,3,4)

InChIKey

MRXPBBXBHPUCQZ-UHFFFAOYSA-N

Smiles

CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2.CC(=O)[O-]