3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride

CAS 5892-18-2 MFCD01737678

化学结构图

5892-18-2
SMILES: Cl.Cn1c(=O)c2c(ncn2C)n(C)c1=O

化学属性

Mol. FormulaC8H10N4O2.ClH
Mol. Weight230.68

别名和识别编码

Chemical NameCaffeine, hydrochloride
InChIKeyVDHPYBVMFNLZQG-UHFFFAOYSA-N
Synonym Caffeine monohydrochloride 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrochloride
Wiswesser Line NotationT56 BN DN FNVNVJ B1 F1 H1 &GH
CAS Number5892-18-2
PubChem Substance ID22181
InChIInChI=1S/C8H10N4O2.ClH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H
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安全信息

RTECSEV6550000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 260 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 197,193,1941

系列性分类

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