7-(beta-hydroxy-gamma-benzylpiperazinopropyl)theophylline

Modify Date: 2024-04-05 17:32:43

7-(beta-hydroxy-gamma-benzylpiperazinopropyl)theophylline Structure
7-(beta-hydroxy-gamma-benzylpiperazinopropyl)theophylline structure
Common Name 7-(beta-hydroxy-gamma-benzylpiperazinopropyl)theophylline
CAS Number 19971-94-9 Molecular Weight 412.48500
Density 1.37g/cm3 Boiling Point 670.1ºC at 760mmHg
Molecular Formula C21H28N6O3 Melting Point N/A
MSDS N/A Flash Point 359.1ºC

 Names

Name 7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione

 Chemical & Physical Properties

Density 1.37g/cm3
Boiling Point 670.1ºC at 760mmHg
Molecular Formula C21H28N6O3
Molecular Weight 412.48500
Flash Point 359.1ºC
Exact Mass 412.22200
PSA 97.32000
Vapour Pressure 7.16E-19mmHg at 25°C
Index of Refraction 1.681

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL6940000
CHEMICAL NAME :
1-Piperazineethanol, 4-benzyl-alpha-(1,3-dimethyl-7-xanthinylmethyl)-
CAS REGISTRY NUMBER :
19971-94-9
BEILSTEIN REFERENCE NO. :
0592463
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H28-N6-O3
MOLECULAR WEIGHT :
412.55
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ F1 H1 B1YR&- 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 :
181 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