Denatonium chloride

Modify Date: 2024-01-02 13:45:08

Denatonium chloride Structure
Denatonium chloride structure
Common Name Denatonium chloride
CAS Number 1674-99-3 Molecular Weight 360.92100
Density N/A Boiling Point N/A
Molecular Formula C21H29ClN2O Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium,chloride
Synonym More Synonyms

 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

~76%

Denatonium chloride Structure

Denatonium chloride

CAS#:1674-99-3

Literature: DISHMAN PHARMACEUTICALS AND CHEMICALS LTD.; PLUIM, Henk Patent: WO2006/62406 A2, 2006 ; Location in patent: Page/Page column 7 ;

~51%

Denatonium chloride Structure

Denatonium chloride

CAS#:1674-99-3

Literature: DISHMAN PHARMACEUTICALS AND CHEMICALS LTD.; PLUIM, Henk Patent: WO2006/62406 A2, 2006 ; Location in patent: Page/Page column 6 ;

 Synonyms

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