triclobisonium chloride

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Names

[ CAS No. ]:
79-90-3

[ Name ]:
triclobisonium chloride

[Synonym ]:
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

Chemical & Physical Properties

[ Molecular Formula ]:
C₃₆H₇₄Cl₂N₂

[ Molecular Weight ]:
605.89200

[ Exact Mass ]:
604.52300

[ LogP ]:
3.96980

Toxicological Information

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

Safety Information

[ Risk Phrases ]:
36/37/38

[ RIDADR ]:
UN 3264 8/PG 3

[ WGK Germany ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,6-diiodohexane
[1-methyl-3-(2,6,6-trimethylcyclohexyl)propyl]dimethylamine

DownStream

Related Compounds

Strontium chloride-Sr82
Benzoyl chloride, 4-(1-methylpropyl)- (9CI)
Benzenebutanoyl chloride, 3-chloro-
cyclopentadienylmagnesium chloride
Cyclohexanecarbonyl chloride, 2-(acetyloxy)-, trans- (9CI)
dodecanoyl chloride,hydrofluoride
1-(2-(4-methoxyphenyl)-2-oxoethyl)-4-methyl-3-(1-(methylsulfonyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
6-cyclopropyl-3-methyl-N-(pyridin-4-yl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
N-(1-cyanocyclohexyl)-N-methyl-2-{[4-(trifluoromethyl)phenyl]amino}acetamide
N-(2-(1H-indol-3-yl)ethyl)-1-(6-(4-fluorophenyl)pyridazin-3-yl)piperidine-4-carboxamide
3-(5-phenyl-1,3-oxazol-2-yl)-N-(1H-1,2,4-triazol-3-yl)propanamide
3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
N-(3-chloro-4-fluorophenyl)-2-(7-(furan-2-yl)-4-oxo-2-(pyrrolidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
1-methyl-N-{2-[(4-phenylbutanoyl)amino]ethyl}-1H-indole-3-carboxamide
N-(1H-indol-6-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
N'-(3,5-dimethoxybenzoyl)-1-(4-fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carbohydrazide

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