7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethyl- purine-2,6-dione
Names
[ CAS No. ]:
19971-97-2
[ Name ]:
7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethyl- purine-2,6-dione
Chemical & Physical Properties
[ Density]:
1.46g/cm3
[ Boiling Point ]:
637.5ºC at 760mmHg
[ Molecular Formula ]:
C16H26N6O4
[ Molecular Weight ]:
366.41500
[ Flash Point ]:
339.4ºC
[ Exact Mass ]:
366.20200
[ PSA ]:
108.76000
[ Vapour Pressure ]:
3.97E-17mmHg at 25°C
[ Index of Refraction ]:
1.678
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5900000
- CHEMICAL NAME :
- Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)prop yl)-
- CAS REGISTRY NUMBER :
- 19971-97-2
- BEILSTEIN REFERENCE NO. :
- 0631574
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H26-N6-O4
- MOLECULAR WEIGHT :
- 366.48
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ F1 H1 B1YQ1- AT6N DNTJ D2Q
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 :
- 571 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
- REFERENCE :
- YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 89,771,1969
Related Compounds
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