1,3,7-Trimethylpurine-2,6-dione;hydrobromide

CAS 5743-18-0 MFCD01737729

化学结构图

5743-18-0
SMILES: Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O

化学属性

Mol. FormulaC8H10N4O2.BrH
Mol. Weight275.14

别名和识别编码

Chemical NameCaffeine, monohydrobromide
InChIKeyXXSSHQCOBPQFOL-UHFFFAOYSA-N
Synonym Caffeine hydrobromide 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrobromide 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, monohydrobromide Caffeine bromide
Wiswesser Line NotationT56 BN DN FNVNVJ B1 F1 H1 &EH
CAS Number5743-18-0
PubChem Substance ID57351081
InChIInChI=1S/C8H10N4O2.BrH/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

RTECSEV6599500
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

系列性分类


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