1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propen-1-yl)- cas no:2530-99-6

Synonyms: 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- (9CI); Theobromine, 1-allyl- (6CI,7CI,8CI);1-Allyl-3,7-dihydro-3,7-dimethyl-2,6-dioxopurine; 1-Allyltheobromine;N1-Allyltheobromine; NSC 40882

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Identification
Chemical Properties
Safety Data
Toxicity

Identification

Name1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propen-1-yl)-
CAS2530-99-6
Synonyms1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- (9CI); Theobromine, 1-allyl- (6CI,7CI,8CI);1-Allyl-3,7-dihydro-3,7-dimethyl-2,6-dioxopurine; 1-Allyltheobromine;N1-Allyltheobromine; NSC 40882
Molecular FormulaC10H12 N4 O2
Molecular Weight220.26

Chemical Properties

refractive index1.638

Safety Data

Safety

Poison by ingestion, subcutaneous, intraperitoneal and intravenous routes. Human systemic effects by ingestion: changes in motor activity and nausea or vomiting. When heated to decomposition it emits highly toxic NO_x.

Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	oral	26mg/kg (26mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: NAUSEA OR VOMITING	Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 113, 1946.
mouse	LD50	intraperitoneal	102mg/kg (102mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.
mouse	LD50	intravenous	40mg/kg (40mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 113, 1946.
mouse	LD50	oral	191mg/kg (191mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.
mouse	LDLo	subcutaneous	125mg/kg (125mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 25, Pg. 361, 1921.
rabbit	LDLo	intravenous	50mg/kg (50mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: EXCITEMENT	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 25, Pg. 361, 1921.
rabbit	LDLo	subcutaneous	100mg/kg (100mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 25, Pg. 361, 1921.

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