Xanthine, 1,3-dimethyl-8-ethyl-

Modify Date: 2025-08-25 18:33:49

Xanthine, 1,3-dimethyl-8-ethyl- Structure
Xanthine, 1,3-dimethyl-8-ethyl- structure
 Common Name Xanthine, 1,3-dimethyl-8-ethyl-
CAS Number 5770-28-5 Molecular Weight 208.21700
Density 1.337g/cm3 Boiling Point 461.5ºC at 760 mmHg
Molecular Formula C9H12N4O2 Melting Point N/A
MSDS N/A Flash Point 232.9ºC

 Names

Name 8-ethyl-1,3-dimethyl-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.337g/cm3
Boiling Point 461.5ºC at 760 mmHg
Molecular Formula C9H12N4O2
Molecular Weight 208.21700
Flash Point 232.9ºC
Exact Mass 208.09600
PSA 72.68000
Index of Refraction 1.592
InChIKey KTJSVELYMZTQJB-UHFFFAOYSA-N
SMILES CCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5200000
CHEMICAL NAME :
Theophylline, 8-ethyl-
CAS REGISTRY NUMBER :
5770-28-5
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N4-O2
MOLECULAR WEIGHT :
208.25
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C2 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

 Synonyms

8-Ethyltheophylline
8-ethyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Theophylline,8-ethyl
Xanthine,1,3-dimethyl-8-ethyl
8-Aethyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
1,3-dimethyl-8-ethylxanthine
8-ethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
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