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

Suppliers

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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • Tetrasodium;5-[[4-[4-[[8-[[6-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
  • 1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-4-methylpiperidine-2-carboxylic acid
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • benzyl N-[5-(2-chloroacetyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbamate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde