Vestphylline

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Names

[ CAS No. ]:
102367-57-7

[ Name ]:
Vestphylline

[Synonym ]:
Diisobutylaminobenzoyloxypropyl theophylline
Vestphyllin
Diisobutylaminobenzoyloxypropyl theophylline (JAN)
7-(3-Diisobutylamino-2-benzoyloxypropyl)theophylline

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
634.2ºC at 760mmHg

[ Molecular Formula ]:
C25H35N5O4

[ Molecular Weight ]:
469.57700

[ Flash Point ]:
337.3ºC

[ Exact Mass ]:
469.26900

[ PSA ]:
102.22000

[ LogP ]:
2.34240

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.591

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5161000
CHEMICAL NAME :
Theophylline-8-ethanol, alpha-((diisobutylamino)methyl)-, benzoate (ester)
CAS REGISTRY NUMBER :
102367-57-7
LAST UPDATED :
199609
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C25-H35-N5-O4
MOLECULAR WEIGHT :
469.65
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C1YOVR&1N1Y1&1&1Y1&1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IPAE "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1968 Volume(issue)/page/year: -,101,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1835 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,306,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
273 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,306,1982

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 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
  • 3-((4-chlorophenyl)sulfonyl)-6-fluoro-N-(4-methoxybenzyl)quinolin-4-amine
  • 3-((4-Chlorophenyl)sulfonyl)-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
  • (5Z)-5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one