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Product Name: Hexasonium
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3569-59-3

3569-59-3 structure

3569-59-3 structure

Name: Hexasonium
Chemical Name: 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-dimethylsulfanium,iodide
CAS Number: 3569-59-3
Molecular Formula: C₁₈H₂₇IO₂S
Molecular Weight: 434.37500
Create Date: 2017-06-19 06:28:30
Modify Date: 2024-02-05 12:52:15

Name	2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-dimethylsulfanium,iodide
Synonyms	Ioduro de hexasonio [INN-Spanish] Hexadiphensulfone iodide Hexadiphensulfonium iodatum [2-(Cyclohexyl-phenyl-acetoxy)-aethyl]-dimethyl-sulfonium,Jodid Thiospasmin [Czech] Iodure d'hexasonium [INN-French] [2-(cyclohexyl-phenyl-acetoxy)-ethyl]-dimethyl sulfonium,iodide Hexasonium iodide Thiospasmine Hexasonii iodidum [INN-Latin] (2-((cyclohexylphenylacetyl)oxy)ethyl)dimethylsulfonium iodide Thiospasmin

Molecular Formula	C₁₈H₂₇IO₂S
Molecular Weight	434.37500
Exact Mass	434.07800
PSA	51.60000
LogP	0.77560

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WR8050000

CHEMICAL NAME :: Sulfonium, (2-hydroxyethyl)dimethyl-, iodide, alpha-phenylcyclohexaneacetate

CAS REGISTRY NUMBER :: 3569-59-3

LAST UPDATED :: 199012

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C18-H27-O2-S.I

MOLECULAR WEIGHT :: 434.41

WISWESSER LINE NOTATION :: L6TJ AYR&VO2S1&1 &Q &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7700 ug/kg

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

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 20,348,1957

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 270 mg/kg

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

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 20,348,1957

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 220 mg/kg

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

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 20,348,1957

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3200 ug/kg

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

REFERENCE :: 28ZPAK "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972 Volume(issue)/page/year: -,253,1972

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5 mg/kg

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

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 20,348,1957

HS Code	2930909090

74-88-4 structure

74-88-4

~%

3569-59-3 structure

3569-59-3

Literature: Protiva; Exner Collection of Czechoslovak Chemical Communications, 1954 , vol. 19, p. 524,527, 529 Collection of Czechoslovak Chemical Communications, 1955 , vol. 20, p. 210,213

Precursor 1
74-88-4
DownStream 0

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%