captodiame

Suppliers

Names

[ CAS No. ]:
486-17-9

[ Name ]:
captodiame

[Synonym ]:
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

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

Precursor & DownStream

Precursor

  • Benzene, (butylthio)-
  • Benzoyl chloride
  • [4-(BUTYLTHIO)PHENYL](PHENYL)METHANONE
  • (2-Chloroethyl)dimethylamine hydrochloride

DownStream


Related Compounds

  • Captodiame HCl
  • tert-butyl 3-[2,5-dimethyl-1-(2-methylpropyl)-1H-pyrrol-3-yl]piperazine-1-carboxylate
  • tert-butyl 2-(1-methyl-1H-pyrazol-5-yl)piperazine-1-carboxylate
  • Ethyl 4-(1-amino-2-{[(tert-butoxy)carbonyl]amino}ethyl)piperidine-1-carboxylate
  • 5-(1-methyl-1H-pyrazol-5-yl)-1-oxa-9-thia-4-azaspiro[5.5]undecane
  • 5-(1,2-Thiazol-5-yl)-1-oxa-9-thia-4-azaspiro[5.5]undecane
  • tert-butyl N-[5-(4-amino-1,2-oxazol-5-yl)-2-methylphenyl]carbamate
  • tert-butyl N-[3-amino-2-(4-cyanothiophen-2-yl)-2-methylpropyl]carbamate
  • Tert-butyl 3-[6-(propan-2-yloxy)pyridin-2-yl]piperazine-1-carboxylate
  • tert-butyl N-{3-amino-2-[2-(morpholin-4-yl)phenyl]propyl}carbamate
  • 9-methyl-5-(1-methyl-1H-pyrazol-3-yl)-1-oxa-4-azaspiro[5.5]undecane
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