S-((N-(3-BENZYLOXYPROPYL)AMIDINO) METHYL) HYDROGEN THIOSULFATE

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Names

[ CAS No. ]:
40283-92-9

[ Name ]:
S-((N-(3-BENZYLOXYPROPYL)AMIDINO) METHYL) HYDROGEN THIOSULFATE

Chemical & Physical Properties

[ Density]:
1.34g/cm3

[ Molecular Formula ]:
C12H18N2O4S2

[ Molecular Weight ]:
318.41200

[ Exact Mass ]:
318.07100

[ PSA ]:
133.16000

[ LogP ]:
3.26760

[ Index of Refraction ]:
1.589

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PB4620000
CHEMICAL NAME :
Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester)
CAS REGISTRY NUMBER :
40283-92-9
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H18-N2-O4-S2
MOLECULAR WEIGHT :
318.44
WISWESSER LINE NOTATION :
WSQS1YUM&M3O1R

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 :
300 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 :
30 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

  • Methyl 4-amino-3-(2-chloro-6-methylpyridin-3-yl)butanoate
  • [1-(3-Bromo-4-methylphenyl)-2,2-difluorocyclopropyl]methanamine
  • (1R)-1-(3-bromo-1-methyl-1H-indol-2-yl)ethan-1-amine
  • tert-butyl N-[1-amino-3-(2-chloro-6-methylpyridin-4-yl)propan-2-yl]carbamate
  • 5-(3-bromo-2,4-difluorophenyl)-1H-imidazol-2-amine
  • 5-(2-bromo-5-methylphenyl)-1H-imidazol-2-amine
  • 1-(2-ethoxyethyl)-5-(2-methoxyethyl)-1H-1,2,3-triazole-4-carbothioamide
  • 1-(5-Bromo-3-methylfuran-2-yl)-2,2-difluoroethan-1-amine
  • rac-(1R,3R)-3-(3-bromo-2,4-difluorophenyl)-2,2-dimethylcyclopropan-1-amine
  • 3-(2-Bromo-4-fluorophenyl)-2,2-difluoropropan-1-amine
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