1-[(1-amino-2-sulfosulfanylethylidene)amino]adamantane,hydrate

Names

[ CAS No. ]:
63869-14-7

[ Name ]:
1-[(1-amino-2-sulfosulfanylethylidene)amino]adamantane,hydrate

Chemical & Physical Properties

[ Molecular Formula ]:
C48H82N8O13S8

[ Molecular Weight ]:
1235.73000

[ Exact Mass ]:
1234.38000

[ PSA ]:
504.95000

[ LogP ]:
14.45370

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PB4510000
CHEMICAL NAME :
Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate
CAS REGISTRY NUMBER :
63869-14-7
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H20-N2-O3-S2.1/4H2-O
MOLECULAR WEIGHT :
288.76
WISWESSER LINE NOTATION :
L66 B6/B-H/DI A B- C 1B ITJ BMYUM&1SSWQ &QH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 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: 15,1313,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38 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: 15,1313,1972

Related Compounds

  • 1-(2-Methoxyacetyl)-3-methylpiperidine-3-carboxylic acid
  • 1-Acetyl-3-methylpiperidine-3-carboxylic acid
  • 1-Isothiocyanato-3-methoxy-2-methylpropane
  • (1-Amino-2-cyclopropylpropan-2-yl)(prop-2-yn-1-yl)amine
  • 5-Furo[2,3-b]pyridin-5-yl-5-methylimidazolidine-2,4-dione
  • 2-Chloro-1-(2,2,6-trimethylmorpholin-4-yl)ethan-1-one
  • N-oct-7-enylcyclopropanamine
  • 2-Azaspiro[4.4]nonane-2-ethanethioamide, I+/--cyclopropyl-1,3-dioxo-
  • Ethyl 3-((4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)amino)propanoate
  • 4-(4-Hydroxymethyl-5-methyl-thiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
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