Caffeine, 8-benzyl-

CAS 5426-88-0 MFCD01737638

化学结构图

5426-88-0
SMILES: Cn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(C)c1=O

化学属性

Mol. FormulaC15H16N4O2
Mol. Weight284.35

别名和识别编码

Chemical NameCaffeine, 8-benzyl-
InChIKeyYWCYMEPBJYACMO-UHFFFAOYSA-N
Synonym 8-Benzyl-caffeine
Wiswesser Line NotationT56 BN DN FNVNVJ B1 C1R& F1 H1
CAS Number5426-88-0
Beilstein Registry Number0298246
PubChem Substance ID21551
InChIInChI=1S/C15H16N4O2/c1-17-11(9-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3
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安全信息

RTECSEV6490000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 43,152,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04361

系列性分类


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