2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-
Names
[ CAS No. ]:
6493-46-5
[ Name ]:
2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-
[Synonym ]:
Theophylline,8-(2-(piperidinoethyl)thio)-6-thio
Uric acid,1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio
Chemical & Physical Properties
[ Density]:
1.41g/cm3
[ Boiling Point ]:
546.2ºC at 760mmHg
[ Molecular Formula ]:
C14H21N5OS2
[ Molecular Weight ]:
339.47900
[ Flash Point ]:
284.1ºC
[ Exact Mass ]:
339.11900
[ PSA ]:
116.24000
[ LogP ]:
1.84550
[ Index of Refraction ]:
1.694
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6487300
- CHEMICAL NAME :
- Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-
- CAS REGISTRY NUMBER :
- 6493-46-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H21-N5-O-S2
- MOLECULAR WEIGHT :
- 339.52
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNYJ F1 H1 IUS CS2- AT6NTJ
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 :
- 56 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#04457