Theobromine sodium acetate

CAS 8002-88-8 MFCD01743430

化学结构图

8002-88-8
SMILES: CC(=O)[O-].Cn1cnc2c1c(=O)n([Na])c(=O)n2C.[Na+]

化学属性

Mol. FormulaC7H8N4O2.C2H3O2.2Na
Mol. Weight285.22

别名和识别编码

Chemical NameAcetic acid, sodium salt, mixt. with3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione sodiumsalt
Synonym Theobromine sodium acetate
CAS Number8002-88-8
PubChem Substance ID76971450
InChIInChI=1S/C7H8N4O2.C2H4O2.2Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;1-2(3)4;;/h3H,1-2H3,(H,9,12,13);1H3,(H,3,4);;/q;;2*+1/p-2
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安全信息

RTECSAJ4400000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1356 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: 116,343,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 789 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: 116,343,1956

系列性分类


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