captodiame

Modify Date: 2024-01-19 18:58:13

captodiame Structure
captodiame structure
Common Name captodiame
CAS Number 486-17-9 Molecular Weight 359.59200
Density 1.08g/cm3 Boiling Point 466.1ºC at 760mmHg
Molecular Formula C21H29NS2 Melting Point N/A
MSDS N/A Flash Point 235.7ºC

 Names

Name 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.08g/cm3
Boiling Point 466.1ºC at 760mmHg
Molecular Formula C21H29NS2
Molecular Weight 359.59200
Flash Point 235.7ºC
Exact Mass 359.17400
PSA 53.84000
LogP 5.96300
Vapour Pressure 7.26E-09mmHg at 25°C
Index of Refraction 1.596

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KQ8563000
CHEMICAL NAME :
Ethylamine, 2-((p-(butylthio)-alpha-phenylbenzyl)thio)-N,N-dimeth yl-
CAS REGISTRY NUMBER :
486-17-9
BEILSTEIN REFERENCE NO. :
2625367
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C21-H29-N-S2
MOLECULAR WEIGHT :
359.63
WISWESSER LINE NOTATION :
4SR DYR&S2N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,154,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3800 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - somnolence (general depressed activity)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,154,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
343 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - body temperature decrease Behavioral - convulsions or effect on seizure threshold Behavioral - somnolence (general depressed activity)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,154,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1630 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - somnolence (general depressed activity)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,154,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
116 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 108,201,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 136,440,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia
REFERENCE :
CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 12,448,1963

 Synthetic Route

~%

captodiame Structure

captodiame

CAS#:486-17-9

Literature: Takahashi,K. et al. Chemical and Pharmaceutical Bulletin, 1960 , vol. 8, p. 757 - 762

~%

captodiame Structure

captodiame

CAS#:486-17-9

Literature: Takahashi,K. et al. Chemical and Pharmaceutical Bulletin, 1960 , vol. 8, p. 757 - 762

~%

captodiame Structure

captodiame

CAS#:486-17-9

Literature: Takahashi,K. et al. Chemical and Pharmaceutical Bulletin, 1960 , vol. 8, p. 757 - 762

 Synonyms

N,N-Dimethyl-2-(4-butylmercapto-benzhydrylmercapto)-ethylamin
Captodiamin
Kaptodiamin [Czech]
Captodiamine
[2-(4-Butylmercapto-benzhydrylmercapto)-aethyl]-dimethyl-amin
Captodramine
Captodiame
Covatin
Captodramin
Captodiamum [INN-Latin]
Captodiamo [INN-Spanish]
[2-(4-butylsulfanyl-benzhydrylmercapto)-ethyl]-dimethyl-amine
1-(4-Butylmercapto-benzhydrylmercapto)-2-dimethylamino-ethan
Covatix
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