可可碱 ,83-67-0 _化学云数据库

可可碱

基本信息
产品名称：	可可碱
CAS：	83-67-0 ;519-41-5
中文同义词：	3,7-二甲基黄嘌呤 ; 可可碱 ; 3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮 ; 咖啡碱
英文同义词：	THEOBROMINE, 99% ; 1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL- ; THEOSALVOSE ; 2,6-DIHYDROXY-3,7-DIMETHYL-PURINE ; THESODATE ; 3,7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE ; THESAL ; DIUROBROMINE ; THEOBROMINE ; 3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE ; 3,7-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE ; TEOBROMIN ; 3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE ; 3,7-DIMETHYLPURINE-2,6-DIONE ; THEOSTENE ; 3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE ; 3,7-DIMETHYL-1,3,7-TRIHYDROPURINE-2,6-DIONE ; SANTHEOSE ; 3,7-DIMETHYLXANTHINE
MDL号：	MFCD00022830
氢键受体数量：	6
氢键供体数量：	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
性质
熔点：	345-350 DEG C/290-295℃/290-295℃
注解：	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
安全信息
符号：	GHS07
信号词：	Warning
危险声明：	H302
危害码：	Xn
风险声明：	R:22
WGK德国：	1

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