8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Names
[ CAS No. ]:
73908-75-5
[ Name ]:
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
[Synonym ]:
8-Heptylthiotheophyline
Chemical & Physical Properties
[ Density]:
1.27g/cm3
[ Boiling Point ]:
502ºC at 760 mmHg
[ Molecular Formula ]:
C14H22N4O2S
[ Molecular Weight ]:
310.41500
[ Flash Point ]:
257.4ºC
[ Exact Mass ]:
310.14600
[ PSA ]:
97.98000
[ LogP ]:
2.02280
[ Index of Refraction ]:
1.598
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5635000
- CHEMICAL NAME :
- Theophylline, 8-heptylthio-
- CAS REGISTRY NUMBER :
- 73908-75-5
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H22-N4-O2-S
- MOLECULAR WEIGHT :
- 310.46
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ CS7 F1 H1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04407