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128059-51-8

128059-51-8 structure

128059-51-8 structure

Name: 1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione
Chemical Name: 1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione
CAS Number: 128059-51-8
Molecular Formula: C₁₁H₁₄N₄O₃S
Molecular Weight: 282.31900
Create Date: 2016-06-15 10:31:48
Modify Date: 2025-09-18 20:39:16

Name	1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione
Synonyms	7-(1,3-Oxathiolan-2-ylmethyl)theophylline 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl) 3,7-Dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)-1H-purine-2,6-dione

Density	1.61g/cm3
Boiling Point	552.3ºC at 760mmHg
Molecular Formula	C₁₁H₁₄N₄O₃S
Molecular Weight	282.31900
Flash Point	287.8ºC
Exact Mass	282.07900
PSA	96.35000
Vapour Pressure	3.06E-12mmHg at 25°C
Index of Refraction	1.745

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO8427850

CHEMICAL NAME :: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl )-

CAS REGISTRY NUMBER :: 128059-51-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-N4-O3-S

MOLECULAR WEIGHT :: 282.35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 980 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 24,635,1989

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