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
  • 4,4-Dimethoxy-1-(oxolan-2-yl)butane-1,3-dione
  • N-[1-(azetidin-3-yl)-1H-pyrazol-5-yl]-3-chloropropanamide
  • 3-Hydrazinyl-2-(oxan-4-yl)quinoline
  • 4-Ethyl-3-[(1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
  • 3-(4-Bromo-3,5-dimethylphenyl)-1,2-oxazol-5-amine
  • 1-[(5-bromo-2-methylphenyl)methyl]-1H-imidazol-2-amine
  • 1-[2-(6-methylpyrazin-2-yl)ethyl]-1H-imidazol-2-amine
  • 1-[(1,2,5-thiadiazol-3-yl)methyl]-1H-imidazol-2-amine
  • 5-bromo-1-[2-(3-methylpyrrolidin-1-yl)ethyl]-1H-1,2,4-triazol-3-amine
  • 3-{[3-(ethylsulfanyl)phenyl]carbamoyl}-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
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