THEOBROMINE ,519-41-5 _Chemical Cloud Database

THEOBROMINE

Basic Information
Product Name：	THEOBROMINE
CAS：	519-41-5 ;83-67-0
English Synonyms：	SANTHEOSE ; TEOBROMIN ; THESODATE ; 1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL- ; 3,7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE ; 3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE ; DIUROBROMINE ; THEOBROMINE ; 3,7-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE ; THEOSTENE ; 3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE ; 2,6-DIHYDROXY-3,7-DIMETHYL-PURINE ; 3,7-DIMETHYL-1,3,7-TRIHYDROPURINE-2,6-DIONE ; 3,7-DIMETHYLPURINE-2,6-DIONE ; THEOBROMINE, 99% ; 3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE ; THESAL ; 3,7-DIMETHYLXANTHINE ; THEOSALVOSE
MDL Number.：	MFCD00022830
H bond acceptor：	6
H bond donor：	1
Smile：	Cn1cnc2c1c(=O)[nH]c(=O)n2C
InChi：	InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
InChiKey：	InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
Property
Melting Point：	345-350 DEG C/290-295℃/290-295℃
Comments：	ASSAY METHOD: HPLC BIOCHEM/PHYSIOL ACTIONS: DIURETIC BIOCHEM/PHYSIOL ACTIONS: PHOSPHOSDIESTERASE INHIBITOR BIOCHEM/PHYSIOL ACTIONS: SMOOTH MUSCLE RELAXANT BIOCHEM/PHYSIOL ACTIONS: WEAK ADENOSINE RECEPTOR ANTAGONIST RTECS: XH2275000 UNSPSC: 12352100 WGK: 1
Safety information
Symbol：	GHS07
Signal word：	Warning
Hazard statements：	H302
hazard symbol：	Xn
Risk Code：	R:22
WGK Germany：	1

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