1-Allyltheobromine 3,7-二氢-3,7-二甲基-1-(2-丙烯-1-基)-1H-嘌呤-2,6-二酮

CAS 2530-99-6 MFCD01682388

化学结构图

2530-99-6
SMILES: C=CCn1c(=O)c2c(ncn2C)n(C)c1=O

化学属性

Mol. FormulaC10H12N4O2
Mol. Weight220.23

别名和识别编码

Chemical Name1-Allyltheobromine
Wiswesser Line NotationT56 BN DN FNVNVJ B1 F1 H1U2
Synonym 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione Allyltheobromine {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {} {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {} {} {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {} {} {} {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1
CAS Number2530-99-6
Beilstein Registry Number0226010
PubChem Substance ID237430
InChIInChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3
Chemical Name Translation 3,7-二氢-3,7-二甲基-1-(2-丙烯-1-基)-1H-嘌呤-2,6-二酮
Canonical SMILESO=C1C2=C(N=CN2C)N(C(=O)N1CC=C)C
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安全信息

RTECSXH2350000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 191 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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 26 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Gastrointestinal - nausea or vomiting
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: 86,113,1946

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - excitement
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 25,361,1921

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - excitement
   Lungs, Thorax, or Respiration - o

Storage condition

系列性分类

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