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

Modify Date: 2024-02-03 07:32:43

2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid Structure
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid structure
Common Name 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid
CAS Number 63077-40-7 Molecular Weight 628.62200
Density N/A Boiling Point 570.8ºC at 760 mmHg
Molecular Formula C20H32N14O8S Melting Point N/A
MSDS N/A Flash Point 299ºC

 Names

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

 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

~37%

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

2-[2-(1,3-dimet...

CAS#:63077-40-7

Literature: Glushkov, R. G.; Dronova, L. N.; Nikolaeva, L. A.; Ovcharova, I. M.; Medvedev, B. A.; Mashkovskii, M. D. Pharmaceutical Chemistry Journal, 1983 , vol. 17, # 1 p. 26 - 29 Khimiko-Farmatsevticheskii Zhurnal, 1983 , vol. 17, # 1 p. 40 - 44

 Synonyms

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