2-((4-(1,3-Dimethyl-2,6-dioxopurin-7-yl)butyl)amino)ethanethiol, hydro gen sulfate (ester)

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Names

[ CAS No. ]:
38920-53-5

[ Name ]:
2-((4-(1,3-Dimethyl-2,6-dioxopurin-7-yl)butyl)amino)ethanethiol, hydro gen sulfate (ester)

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Molecular Formula ]:
C13H21N5O5S2

[ Molecular Weight ]:
391.46600

[ Exact Mass ]:
391.09800

[ PSA ]:
161.90000

[ LogP ]:
0.81120

[ Index of Refraction ]:
1.68

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KJ1053000
CHEMICAL NAME :
Ethanethiol, 2-((4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl)amino)- , hydrogen sulfate (ester)
CAS REGISTRY NUMBER :
38920-53-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H21-N5-O5-S2
MOLECULAR WEIGHT :
391.51
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B4M2SSWQ F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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: 15,968,1972

Related Compounds

  • N-(2,3-dimethylphenyl)-2-(5-methoxy-2-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-4-oxopyridin-1(4H)-yl)acetamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • (2S,3S)-3-(Trimethylsilyl)-2-oxiranemethanol
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine