1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(3-pyridinyl)-

Modify Date: 2024-02-27 18:42:29

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(3-pyridinyl)- structure	Common Name	1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(3-pyridinyl)-
	CAS Number	1029-62-5	Molecular Weight	257.24800
	Density	1.417g/cm3	Boiling Point	552.8ºC at 760 mmHg
	Molecular Formula	C₁₂H₁₁N₅O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	288.1ºC

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

Density	1.417g/cm3
Boiling Point	552.8ºC at 760 mmHg
Molecular Formula	C₁₂H₁₁N₅O₂
Molecular Weight	257.24800
Flash Point	288.1ºC
Exact Mass	257.09100
PSA	85.57000
LogP	0.02230
Vapour Pressure	2.9E-12mmHg at 25°C
Index of Refraction	1.645

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6493800

CHEMICAL NAME :: Theophylline, 8-(3-pyridyl)-

CAS REGISTRY NUMBER :: 1029-62-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H11-N5-O2

MOLECULAR WEIGHT :: 257.28

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ F1 H1 C- CT6NJ

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 :: 1 gm/kg

TOXIC EFFECTS :: Vascular - regional or general arteriolar or venous dilation

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 103,641,1964

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 158 mg/kg

TOXIC EFFECTS :: Vascular - regional or general arteriolar or venous dilation

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 103,641,1964

HS Code	2933990090

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

8-<3-Pyridyl>-theophyllin

8-(pyridin-3-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

8-<Pyridyl-(3)>-theophyllin

1,3-dimethyl-8-pyridin-3-yl-3,7(9)-dihydro-purine-2,6-dione

8-(3-Pyridyl)theophylline

Theophylline,8-(3-pyridyl)

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1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(3-pyridinyl)-

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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