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