CAS No.3485-82-3,3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3485-82-3
Name:	3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt
Article Data:	2

Formula:	C7H8 N4 O2 . Na
Molecular Weight:	202.148
Synonyms:	1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-, sodium salt (9CI); Theophylline, sodium deriv.(6CI,7CI); Theophylline, sodium salt (8CI); 1,3-Dimethylxanthine sodium salt;Sodium theophyllinate; Sodium theophylline; Theophylline sodium
Density:	g/cm³
Boiling Point:	271.1°Cat760mmHg
Flash Point:	117.8°C
Safety:	Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NO_x and Na₂O. See also THEOPHYLLINE.
PSA:	69.78000
LogP:	-1.41060

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Chemistry

Product Name: Sodium theophylline (CAS NO.3485-82-3)

Molecular Formula: C₇H₈N₄NaO₂
Molecular Weight: 203.15379g/mol
Mol File: 3485-82-3.mol
Einecs: 222-472-9
Appearance: A white crystalline powder, no odor
Boiling point: 271.1°Cat760mmHg
Flash Point: 117.8°C
Water Solubility: Soluble in water, insoluble in ethanol

Uses

Sodium theophylline (CAS NO.3485-82-3) is the intermediate theophylline.

Production

Acetic acid with cyanide and 2-methyl urea condensation, producing 1,3 - 2-methyl cyanide acetyl urea, and then cyclization in alkaline conditions, obtained 1,3 - dimethyl -4 - Asia semicarbazide hydrochloride, and then nitrosated and the reduction was 1,3 - dimethyl -4,5 - 2 semicarbazide hydrochloride, the end, formic acid acylation and cyclization of the products obtained.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	subcutaneous	192mg/kg (192mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 649, 1954.
mouse	LD50	intravenous	171mg/kg (171mg/kg)	Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 335, 1970.
mouse	LD50	oral	445mg/kg (445mg/kg)	United States Patent Document. Vol. #4325956,
mouse	LD50	subcutaneous	189mg/kg (189mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 649, 1954.
rat	LDLo	oral	200mg/kg (200mg/kg)	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 266, 1946.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NO_x and Na₂O. See also THEOPHYLLINE.

Specification

Sodium theophylline ,its CAS NO. is 3485-82-3,the synonyms is 3,7-Qihydro-1,3-dimethyl-1h-purine-2,6-dione, sodium salt;theophyllinesodiumsalt ; 1,3-Dimethylxanthine sodium salt;6-dione, 3,7-dihydro-1,3-dimethyl-1h-purine- sodium salt;heophylline, sodium deriv. ; Sodium thiophyllinate .