1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

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Names

[ CAS No. ]:
61444-26-6

[ Name ]:
1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

[Synonym ]:
Theophylline,7-allyl
N-allyltheophyllin
N7-Allyltheophylline
N5-allyl-1,3-dimethylxanthine
N-allyltheophylline
7-Allyltheophylline
7-Allyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-propenyl)
7-allyl-1,3-dimethylxanthine

Chemical & Physical Properties

[ Density]:
1.32g/cm3

[ Boiling Point ]:
426.1ºC at 760 mmHg

[ Molecular Formula ]:
C10H12N4O2

[ Molecular Weight ]:
220.22800

[ Flash Point ]:
211.5ºC

[ Exact Mass ]:
220.09600

[ PSA ]:
61.82000

[ Index of Refraction ]:
1.638

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH3859550
CHEMICAL NAME :
Theophylline, 7-allyl-
CAS REGISTRY NUMBER :
61444-26-6
BEILSTEIN REFERENCE NO. :
0226015
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H12-N4-O2
MOLECULAR WEIGHT :
220.26

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 :
315 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
299 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956

Related Compounds

  • 1,3-dimethyl-7-[2-(propylamino)ethyl]purine-2,6-dione,hydrochloride
  • 1,3-dimethyl-7-[3-(4-prop-2-enylpiperazin-1-yl)propyl]purine-2,6-dione,dihydrochloride
  • 1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione
  • 1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione
  • 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione
  • 1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione
  • (Z)-1-(2-Fluorovinyl)naphthalene
  • methyl 4-[[2-[3-(3-methoxyphenyl)-7-oxo-triazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]benzoate
  • N-[[[4-(Aminosulfonyl)phenyl]amino]thioxomethyl]-2-(1-methylethoxy)benzamide
  • N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(p-tolylsulfonyl)oxazolidin-2-yl]methyl]oxamide
  • 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
  • 2-(1-Chloroethyl)benzenesulfonamide
  • 4-acetyl-N-[3-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]benzenesulfonamide
  • N-(4-bromophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
  • 2-(2,4-Bis(benzyloxy)phenyl)ethanol
  • 2-[1-iodo-2-(p-tolylsulfonyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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