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
  • 2-cyclopropyl-2-[7-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)heptanamido]acetic acid
  • 3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-phenylpropanamido]propanoic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-oxopentanoic acid
  • 3-{2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]phenyl}propanoic acid
  • 4-({[2-(benzyloxy)phenyl]methyl}carbamoyl)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[(oxolan-3-yl)(propyl)carbamoyl]butanoic acid
  • 2-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methylbutanamido}-3,3,3-trifluoro-2-methylpropanoic acid
  • 2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]-6-fluorobenzoic acid
  • 1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopent-2-ene-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(octan-4-yl)carbamoyl]propanoic acid
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