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Theophylline-7-Acetic Acid

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Origin: China

Cas No: 652-37-9

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 50 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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CAS No.: 652-37-9 Formula: C9H10N4O4 Molecular Weight: 238.20000

Description

Acefylline, also known as acetyloxytheophylline, is a stimulant drug of the xanthine chemical class. It acts as an adenosine receptor antagonist. It is combined with diphenhydramine in the pharmaceutical preparation etanautine to help offset its stimulant effects.
Theophyllines are classified in this group. Other respiratory stimulants are classified in R07AB - Respiratory stimulants.
Corticosteroids for systemic use, see H02.
Sympathomimetics for systemic treatment of rhinitis, see R01BA.
This group comprises mainly the xanthines. The DDDs for these substances are based on treatment of obstructive lung diseases.
A number of preparations containing e.g. theophylline are classified in this group even if they do not have asthma as an indication.
Combinations of xanthines and other agents (except adrenergics, see R03DB - Xanthines and adrenergics) are classified at separate 5th levels using the corresponding 50-series (e.g. mucolytics).

Basic Info

Chemical Name	Theophylline-7-Acetic Acid
Synonyms	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;
CAS No.	652-37-9
Molecular Formula	C9H10N4O4
Molecular Weight	238.20000
PSA	99.12000
LogP	-1.48170

Properties

Appearance & Physical State	White Crystalline Solid
Density	1.64 g/cm3
Boiling Point	269-271ºC
Melting Point	270-272ºC
Flash Point	289.9ºC
Storage Condition	Refrigerator

Safety Info

RTECS	UO7451300
Safety Statements	S26-S36
WGK Germany	2
Risk Statements	R36/37/38
Hazard Codes	Xi

Synthesis Route

theophylline+chloroacetic acid→Theophylline-7-Acetic Acid
ethyl 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate→Theophylline-7-Acetic Acid
chloroacetic acid→Theophylline-7-Acetic Acid

Toxicity

Exposure Route	Type of Test	Species Observed	Dose/Duration	Toxic Effects
Oral	LD50 - Lethal dose, 50 percent kill	Rodent - rat	>5 gm/kg	1.Details of toxic effects not reported other than lethal dose value
Intravenous	LD50 - Lethal dose, 50 percent kill	Rodent - rat	>500 mg/kg	1.Details of toxic effects not reported other than lethal dose value
Oral	LD50 - Lethal dose, 50 percent kill	Rodent - mouse	2733 mg/kg	1.Details of toxic effects not reported other than lethal dose value