Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-

CAS 5047-75-6 MFCD01682335

化学结构图

5047-75-6
SMILES: CCCCN(CCCC)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

化学属性

Mol. FormulaC18H31N5O3
Mol. Weight365.54

别名和识别编码

Chemical NameTheophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-
InChIKeyZDVAMNZVNAKAFM-UHFFFAOYSA-N
Synonym 1H-Purine-2,6-dione, 7-(3-(Dibutylamino)-2-hydroxypropyl)theophylline
CAS Number5047-75-6
Beilstein Registry Number0579085
PubChem Substance ID199810
InChIInChI=1S/C18H31N5O3/c1-5-7-9-22(10-8-6-2)11-14(24)12-23-13-19-16-15(23)17(25)21(4)18(26)20(16)3/h13-14,24H,5-12H2,1-4H3
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安全信息

RTECSXH5093940 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 95 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   DIPHAH Dissertationes Pharmaceuticae.  (Warsaw, Poland)  V.1-17, 1949-65.
   For publisher information, see PJPPAA.  Volume(issue)/page/year: 17,475,1965

系列性分类

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