triclobisonium chloride

Suppliers

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

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
  • 2-{2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropyl]acetamido}-5-fluorobenzoic acid
  • 4-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5-methylhexanamido}-3-hydroxybutanoic acid
  • 2-{1-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxypropanoyl]azetidin-3-yl}propanoic acid
  • 1-{[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-imidazol-4-yl)propanamido]methyl}cyclopropane-1-carboxylic acid
  • (4R)-3-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-imidazol-4-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
  • (2S,3R)-2-[(2S,3S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanamido]-3-methoxybutanoic acid
  • 3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxybutanamido]propanoic acid
  • 3-(1H-1,3-benzodiazol-5-yl)-2,2-dimethylpropan-1-ol
  • ({2-methoxy-5-[(2R)-oxiran-2-yl]phenyl}methyl)dimethylamine
  • 5-[1-(Hydroxymethyl)cyclobutyl]thiophene-2-carbonitrile
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