CAFFEINE, 8-(p-AMINOBENZYL)-

CAS 5426-89-1 MFCD01737636

化学结构图

5426-89-1
SMILES: Cn1c(=O)c2c(nc(Cc3ccc(N)cc3)n2C)n(C)c1=O

化学属性

Mol. FormulaC15H17N5O2
Mol. Weight299.37

别名和识别编码

Chemical NameCaffeine, 8-(p-aminobenzyl)-
InChIKeyOSKJFYYILYDPAQ-UHFFFAOYSA-N
Synonym 8-(p-Aminobenzyl)caffeine
CAS Number5426-89-1
Beilstein Registry Number0318628
PubChem Substance ID21552
InChIInChI=1S/C15H17N5O2/c1-18-11(8-9-4-6-10(16)7-5-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8,16H2,1-3H3
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安全信息

RTECSEV6480000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 210 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 119,107,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 383 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 119,107,1957

系列性分类

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