1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl

Modify Date: 2025-08-25 09:45:28

1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl structure	Common Name	1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl
	CAS Number	577-66-2	Molecular Weight	238.24300
	Density	1.39g/cm3	Boiling Point	402.5ºC at 760mmHg
	Molecular Formula	C₁₀H₁₄N₄O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	197.2ºC

Name	8-ethoxy-1,3,7-trimethylpurine-2,6-dione
Synonym	More Synonyms

Density	1.39g/cm3
Boiling Point	402.5ºC at 760mmHg
Molecular Formula	C₁₀H₁₄N₄O₃
Molecular Weight	238.24300
Flash Point	197.2ºC
Exact Mass	238.10700
PSA	71.05000
Index of Refraction	1.628
InChIKey	LCYXNYNRVOBSHK-UHFFFAOYSA-N
SMILES	CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EV6510000

CHEMICAL NAME :: Caffeine, 8-ethoxy-

CAS REGISTRY NUMBER :: 577-66-2

BEILSTEIN REFERENCE NO. :: 0384859

LAST UPDATED :: 199612

DATA ITEMS CITED :: 12

MOLECULAR FORMULA :: C10-H14-N4-O3

MOLECULAR WEIGHT :: 238.28

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 CO2 F1 H1

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 :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TYPE OF TEST :: Heritable translocation test

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Cells - not otherwise specified

DOSE/DURATION :: 12 mmol/L/2H (Continuous)

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 12,463,1971

Precursor 7
CAS#:64-17-5 Ethanol CAS#:42297-40-5 1,3,7-trimethyl... CAS#:58-55-9 Theophylline CAS#:2099-73-2 1,3-Dimethyl-8-...
CAS#:58-08-2 Caffeine CAS#:4921-49-7 1H-Purine-2,6-d... CAS#:75-03-6 Ethyl iodide
DownStream 3
CAS#:75-00-3 monochloroethane CAS#:5415-44-1 1,3,7-Trimethyl... CAS#:6287-59-8 Uric acid, 9-et...

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Total 3, Current Page 1 of 1

8-Aethoxy-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion

8-Aethoxy-caffein

8-ethoxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion

8-ethoxy-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione

8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

CAFFEINE,8-ETHOXY

8-ethoxy-1,3,7-trimethylxanthine

8-Ethoxycaffeine

EOC

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Chemical & Physical Properties

Toxicological Information