19971-97-2

19971-97-2 structure
19971-97-2 structure

Name 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
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

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