Theophylline, 8-(o-chloroanilino)-

CAS 5429-34-5 MFCD01682362

化学结构图

5429-34-5
SMILES: Cn1c(=O)c2nc(Nc3ccccc3Cl)[nH]c2n(C)c1=O

化学属性

Mol. FormulaC13H12ClN5O2
Mol. Weight305.75

别名和识别编码

Chemical NameTheophylline, 8-(o-chloroanilino)-
InChIKeyWNYQXOIYVOXWAJ-UHFFFAOYSA-N
Synonym 8-(o-Chloroanilino)theophylline 8-(o-Chlorophenylamino)theophylline
Wiswesser Line NotationT56 BM DN FNVNVJ CMR BG& F1 H1
CAS Number5429-34-5
PubChem Substance ID95026
InChIInChI=1S/C13H12ClN5O2/c1-18-10-9(11(20)19(2)13(18)21)16-12(17-10)15-8-6-4-3-5-7(8)14/h3-6H,1-2H3,(H2,15,16,17)
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安全信息

RTECSXH5065000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#04357

系列性分类

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