Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: triclobisonium chloride
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Purity: 98.0%
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79-90-3

79-90-3 structure

79-90-3 structure

Name: triclobisonium chloride
Chemical Name: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium,dichloride
CAS Number: 79-90-3
Molecular Formula: C₃₆H₇₄Cl₂N₂
Molecular Weight: 605.89200
Catalog: Natural product Flavonoids
Create Date: 2018-06-18 18:48:21
Modify Date: 2024-01-02 21:03:58

Name	6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium,dichloride
Synonyms	Ro-5-0810/1 Hexamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium chloride) EINECS 201-232-7 Chlorure de triclobisonium [INN-French] Triclobisonii chloridum [INN-Latin] Triclobisonium chloride Triburon chloride Triburon Chloruro de triclobisonio [INN-Spanish] 1,6-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)-propyldimethyl ammonium chloride]-hexane N,N,N',N'-Tetramethyl-N,N'-bis-<1-methyl-3-(2,2,6-trimethyl-cyclohexyl)-propyl>-hexan-1,6-diammonium Hexamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium) dichloride

Molecular Formula	C₃₆H₇₄Cl₂N₂
Molecular Weight	605.89200
Exact Mass	604.52300
LogP	3.96980

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BQ8343000

CHEMICAL NAME :: Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexy l)propyl)bis(dimethyl -, dichloride

CAS REGISTRY NUMBER :: 79-90-3

LAST UPDATED :: 199203

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C36-H74-N2.2Cl

MOLECULAR WEIGHT :: 606.02

WISWESSER LINE NOTATION :: L6TJ A1 A1 C1 B2Y1&K1&1&6K1&1&Y1&2- BL6TJ A1 A1 C1 &G 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 375 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 35 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 154 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,780,1963

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 12500 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >20 mg/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting

REFERENCE :: ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 8 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959

Risk Phrases	36/37/38
RIDADR	UN 3264 8/PG 3
WGK Germany	3

629-09-4 structure

629-09-4

34714-42-6 structure

34714-42-6

~%

79-90-3 structure

79-90-3

Literature: Teitel,S. et al. Journal of Medicinal Chemistry, 1963 , vol. 6, p. 780 - 787

Precursor 2
629-09-4 34714-42-6
DownStream 0