Caffeine,8-((beta-hydroxy-alpha-methylphenethyl)amino)-

CAS 106478-67-5 MFCD01737682

化学结构图

106478-67-5
SMILES: CC(NC1=NC2=C(C(=O)N(C)C(=O)N2C)N1C)C(O)C1C=CC=CC=1

化学属性

Mol. FormulaC17H21N5O3
Mol. Weight343.43

别名和识别编码

Chemical NameCaffeine,8-((beta-hydroxy-alpha-methylphenethyl)amino)-
Synonym 1-Phenyl-2-(caffeino-(8))-aminopropanol-(1) 8-(beta-Phenyl-beta-oxyisopropyl)aminocoffein 8-((beta-Hydroxy-alpha-methylphenethyl)amino)caffeine
Wiswesser Line NotationT56 BN DN FNVNVJ B1 CMY1&YQR& F1 H1
CAS Number106478-67-5
Beilstein Registry Number1092139
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安全信息

RTECSEV6568500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 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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