8-Chlorocaffeine 1,3,7-三甲基-8-氯嘌呤-2,6-二酮

CAS 4921-49-7 MFCD04921497

化学结构图

4921-49-7
SMILES: Cn1c(=O)c2c(nc(Cl)n2C)n(C)c1=O

化学属性

Mol. Weight228.64
Mol. FormulaC8H9ClN4O2
Melting Point190-192 °C
Boiling Point425.4±55.0 °C at 760 mmHg

别名和识别编码

CAS Number4921-49-7
Chemical Name8-Chlorocaffeine
Synonym 8-Chloro caffeine {LY} 8-Chloro caffeine 8-chlorocaffeine {} {LY} 8-Chloro caffeine {} {} {LY} 8-Chloro caffeine {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Chloro caffeine
Chemical Name Translation1,3,7-三甲基-8-氯嘌呤-2,6-二酮
Wiswesser Line NotationT56 BN DN FNVNVJ B1 CG F1 H1
Beilstein Registry Number0232628
PubChem Substance ID21031
InChIInChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
Canonical SMILESO=C1C2=C(N(C)C(N1C)=O)N=C(N2C)Cl
MDL NumberMFCD00047246
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分类

  • Heterocycles
  • Pharmaceuticals
  • Intermediates & Fine Chemicals,

产品应用

  • A halogenated analog of Caffeine (C080100) as potential radiosensitizing agent.

相关文献及参考

  • Bruns, R.F.

安全信息

RTECSEV6494000 
TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 4 mmol/L
REFERENCE :
   HEREAY Hereditas (Lund, Sweden).  (Gjoerloffsgatan 121, S-261 34 Landskrona,
   Sweden)  V.1-    1947-  Volume(issue)/page/year: 75,277,1973

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Leukocyte
DOSE/DURATION           : 50 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 12,1781,1991

Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed sto
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

系列性分类

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