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

  • (3R)-3-hydroxy-3-(2-methyl-6-nitrophenyl)propanoic acid
  • 3-(7-Chloro-1,3-dioxaindan-5-yl)-2-methoxypropanoic acid
  • Methyl3-(5-methoxypyridin-2-yl)-3-oxopropanoate
  • 4-(3-Hydroxy-4-methylphenyl)oxane-4-carboxylic acid
  • Tert-butyl 3-(thiolan-3-yl)piperazine-1-carboxylate
  • (2R)-6-(4-fluorophenyl)hex-5-en-2-amine
  • 2-(2-Bromo-6-fluorophenyl)-2,2-difluoroacetic acid
  • (3S)-3-hydroxy-3-[4-(pyrrolidin-1-yl)phenyl]propanoic acid
  • 3-(2-Methyl-3-phenylprop-2-en-1-yl)pyrrolidine
  • 5-(Nitromethyl)-1,2,3,4-tetrahydronaphthalene
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