Denatonium chloride

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Names

[ CAS No. ]:
1674-99-3

[ Name ]:
Denatonium chloride

[Synonym ]:
AmbscPOD_05/0837
Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium chloride
Denatonium Chloride
N-{2-[(2,6-dimethylphenyl)-amino]-2-oxoethyl}-N,N-diethyl-benzenemethanaminium chloride
Ammonium,benzyldiethyl((2,6-xylylcarbamoyl)methyl)-,chloride
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
Benzenemethanaminium,N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-,chloride

Chemical & Physical Properties

[ Molecular Formula ]:
C21H29ClN2O

[ Molecular Weight ]:
360.92100

[ Exact Mass ]:
360.19700

[ PSA ]:
29.10000

[ LogP ]:
1.37570

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BO6660000
CHEMICAL NAME :
Ammonium, benzyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride
CAS REGISTRY NUMBER :
1674-99-3
LAST UPDATED :
198806
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H29-N2-O.Cl
MOLECULAR WEIGHT :
360.97

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 2,213,1965

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzyl chloride
  • 2-Chloro-N-(2,6-dimethylphenyl)acetamide
  • Lidocaine

DownStream

Related Compounds

  • Denatonium saccharide
  • Benzoyl chloride, 2-cyano-5-methoxy- (9CI)
  • ELAIDOYL CHLORIDE
  • Strontium chloride-Sr82
  • thulium chloride
  • dodecanoyl chloride,hydrofluoride
  • Methyl 2-(1,3-dihydro-2-benzofuran-5-yl)propanoate
  • 2-fluoro-2-{5H,6H,8H-imidazo[2,1-c][1,4]oxazin-3-yl}acetic acid
  • 2-methyl-2-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}propanoic acid
  • 2-(2-Chloro-3,6-difluorophenyl)-3-methylbutanoic acid
  • 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propanoic acid
  • 2-{5H,6H,7H-pyrrolo[1,2-a]imidazol-3-yl}butanoic acid
  • 2-(2,4-Dimethylthiophen-3-yl)-2-methylpropanoic acid
  • tert-butyl 2-amino-2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoate
  • tert-butyl 2-amino-2-methyl-3-(2-methyl-1H-imidazol-1-yl)propanoate
  • tert-butyl 2-amino-3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate
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