8-(o-Chlorobenzylidene)hydrazinocaffeine

CAS 6299-72-5 MFCD01666386

化学结构图

6299-72-5
SMILES: Cn1c(=O)c2c(nc(NN=Cc3ccccc3Cl)n2C)n(C)c1=O

化学属性

Mol. FormulaC15H15ClN6O2
Mol. Weight346.81

别名和识别编码

Chemical Name8-(o-Chlorobenzylidene)hydrazinocaffeine
InChIKeyTUIDEBOPTMWLGD-CAOOACKPSA-N
Synonym o-Chlorobenzaldehyde-8-caffeine-hydrazone o-Chlorobenzaldehyde (1,3,7-trimethylxanthinyl)hydrazone Caffeine, 8-(o-chlorobenzylidene)hydrazino- 8-(o-Chlorobenzylidene)hydrazinocaffeine
Wiswesser Line NotationT56 BN DN FNVNVJ B1 CMNU1R BG& F1 H1
CAS Number6299-72-5
PubChem Substance ID9561307
InChIInChI=1S/C15H15ClN6O2/c1-20-11-12(21(2)15(24)22(3)13(11)23)18-14(20)19-17-8-9-6-4-5-7-10(9)16/h4-8H,1-3H3,(H,18,19)/b17-8+
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安全信息

RTECSCU5240000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 18 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04391

系列性分类

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