Caffeine, 8-(2-hydroxyethylamino)-

CAS 6320-10-1 MFCD01413766

化学结构图

6320-10-1
SMILES: Cn1c(=O)c2c(nc(NCCO)n2C)n(C)c1=O

化学属性

Mol. FormulaC10H15N5O3
Mol. Weight253.30

别名和识别编码

Chemical NameCaffeine, 8-(2-hydroxyethylamino)-
InChIKeyAWJFREKYPJBFBG-UHFFFAOYSA-N
Wiswesser Line NotationT56 BN DN FNVNVJ B1 CM2Q F1 H1
Synonym N-beta-(Caffeino-(8))-aminoethanol 8-(2-Hydroxyethylamino)caffeine 8-(beta-Oxyaethyl)-aminocoffein G 5
CAS Number6320-10-1
Beilstein Registry Number0385019
PubChem Substance ID22780
InChIInChI=1S/C10H15N5O3/c1-13-6-7(12-9(13)11-4-5-16)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)
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安全信息

RTECSEV6565000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 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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