2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid

Names

[ CAS No. ]:
63077-40-7

[ Name ]:
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid

[Synonym ]:
7-(2-Guanidinoethyl)theophylline hemisulfate
Theophylline,7-(2-guanidinoethyl)-,hemisulfate
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine

Chemical & Physical Properties

[ Boiling Point ]:
570.8ºC at 760 mmHg

[ Molecular Formula ]:
C20H32N14O8S

[ Molecular Weight ]:
628.62200

[ Flash Point ]:
299ºC

[ Exact Mass ]:
628.22500

[ PSA ]:
330.42000

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5631000
CHEMICAL NAME :
Theophylline, 7-(2-guanidinoethyl)-, hemisulfate
CAS REGISTRY NUMBER :
63077-40-7
LAST UPDATED :
198506
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H15-N7-O2.1/2H2-O4-S
MOLECULAR WEIGHT :
314.32

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 :
87 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 46,46,1983

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 3-(Piperidin-2-yl)pyridine-2(1H)-thione
  • 1-{1H-pyrrolo[2,3-b]pyridin-5-yl}cyclopropan-1-amine
  • 6-Methoxy-5-methyl-4-pyrimidinecarboxylic acid
  • 2-Butyl-1,2,5,6-tetrahydropyridine
  • 1-Amino-1-[4-(methylethyl)phenyl]acetone
  • 4-Ethoxy-1,1,1-trifluorobut-3-en-2-ol
  • 1-(2-Aminophenyl)prop-2-yn-1-one
  • 1,4-Dimethyl-3-cyclohexene-1-methanamine
  • 2-(2-Hydroxy-1-imidazol-1-yl-2-methyl-propyl)-benzonitrile
  • 3-(2,3,3-trimethyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-4-yl)-3H-imidazole-4-carboxylic acid methyl ester
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