Important Announcement

X

ChemIDplus is moving to PubChem in December 2022.
Please see the NLM Technical Bulletin article for more information.

Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Denatonium chloride
RN: 1674-99-3
UNII: 0W5171805N
InChIKey: YNQALPDYZRNHNK-UHFFFAOYSA-N

Note

  • Bitter cpd.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N2-O.Cl

Molecular Weight

  • 360.926
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Denatonium chloride

Synonyms

  • Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, chloride
  • Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium chloride
  • UNII-0W5171805N

Systematic Name

  • Ammonium, benzyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride

Registry Numbers

CAS Registry Number

  • 1674-99-3

FDA UNII

  • 0W5171805N

System Generated Number

  • 0001674993

Molecular Formulas

Molecular Formula

  • C21-H29-N2-O.Cl

Molecular Formula Fragments

  • C21-H29-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C21H28N2O.ClH/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;/h7-14H,5-6,15-16H2,1-4H3;1H

InChIKey

YNQALPDYZRNHNK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Acta Pharmaceutica Suecica. Vol. 2, Pg. 213, 1965.