1-Piperazineethanol, 4-(o-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-

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Names

[ CAS No. ]:
19971-95-0

[ Name ]:
1-Piperazineethanol, 4-(o-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-

[Synonym ]:
7-{3-[4-(2-chloro-benzyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Theophylline,7-(3-(4-(o-chlorobenzyl)-1-piperazinyl)-2-hydroxypropyl)
7-{3-[4-(2-chlorobenzyl)piperazin-1-yl]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.42g/cm3

[ Boiling Point ]:
675.8ºC at 760mmHg

[ Molecular Formula ]:
C21H27ClN6O3

[ Molecular Weight ]:
446.93000

[ Flash Point ]:
362.5ºC

[ Exact Mass ]:
446.18300

[ PSA ]:
88.53000

[ LogP ]:
0.14160

[ Vapour Pressure ]:
3.48E-19mmHg at 25°C

[ Index of Refraction ]:
1.679

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL6957000
CHEMICAL NAME :
1-Piperazineethanol, 4-(o-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmet hyl)-
CAS REGISTRY NUMBER :
19971-95-0
BEILSTEIN REFERENCE NO. :
0595259
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H27-Cl-N6-O3
MOLECULAR WEIGHT :
446.99
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ F1 H1 B1YR BG&- 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 :
121 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

  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(5-chloro-1,2-benzoxazol-3-yl)piperidine-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}benzoate
  • rac-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 4-(9H-fluoren-9-yl)methyl (3aR,5R,6aR)-hexahydro-2H-furo[3,2-b]pyrrole-4,5-dicarboxylate
  • rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,4R,5R)-1-[4-(trifluoromethyl)phenyl]bicyclo[2.1.1]hexane-5-carboxylate
  • 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 5-(9H-fluoren-9-yl)methyl 1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-4,5-dicarboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(4-chloro-3-fluorophenoxy)propanoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-(2-methoxyethoxy)cyclohexane-1-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
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