Caffeine, 8-((3-hydroxypropyl)amino)-

CAS 95073-80-6 MFCD01737722

化学结构图

95073-80-6
SMILES: CN1C(=O)C2=C(N=C(NCCCO)N2C)N(C)C1=O

化学属性

Mol. FormulaC11H17N5O3
Mol. Weight267.33

别名和识别编码

Chemical NameCaffeine, 8-((3-hydroxypropyl)amino)-
Wiswesser Line NotationT56 BN DN FNVNVJ B1 CM3Q F1 H1
Synonym N-gamma-(Caffeino-(8))-aminopropanol-(2) 8-(gamma-Oxypropyl)-aminocoffein G 90a 8-((3-Hydroxypropyl)amino)caffeine
CAS Number95073-80-6
Beilstein Registry Number0294617
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安全信息

RTECSEV6569500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GWXXAW German Patent Document.  (U.S. Patent and Trademark Office, Foreign
   Patents, Washington, DC 20231)  Volume(issue)/page/year: #1085530

系列性分类

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