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

CAS 5096-27-5 MFCD01313998

化学结构图

5096-27-5
SMILES: C=CCN(CC=C)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

化学属性

Mol. FormulaC16H23N5O3
Mol. Weight333.44

别名和识别编码

Chemical NameTheophylline, 7-(3-(diallylamino)-2-hydroxypropyl)-
InChIKeyYFKGNQQSCJXSDJ-UHFFFAOYSA-N
Synonym 1H-Purine-2,6-dione, 7-(3-(Diallylamino)-2-hydroxypropyl)theophylline
CAS Number5096-27-5
Beilstein Registry Number0572671
PubChem Substance ID199841
InChIInChI=1S/C16H23N5O3/c1-5-7-20(8-6-2)9-12(22)10-21-11-17-14-13(21)15(23)19(4)16(24)18(14)3/h5-6,11-12,22H,1-2,7-10H2,3-4H3
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安全信息

RTECSXH5093924 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 455 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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