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

CAS 5096-28-6 MFCD01682333

化学结构图

5096-28-6
SMILES: Cn1c(=O)c2c(ncn2C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)n(C)c1=O

化学属性

Mol. FormulaC24H27N5O3
Mol. Weight433.56

别名和识别编码

Chemical NameTheophylline, 7-(3-(dibenzylamino)-2-hydroxypropyl)-
InChIKeyFBFMWXKTHIEXGH-UHFFFAOYSA-N
Synonym 7-(3-(Dibenzylamino)-2-hydroxypropyl)theophylline 1H-Purine-2,6-dione,
CAS Number5096-28-6
Beilstein Registry Number1189060
PubChem Substance ID199842
InChIInChI=1S/C24H27N5O3/c1-26-22-21(23(31)27(2)24(26)32)29(17-25-22)16-20(30)15-28(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12,17,20,30H,13-16H2,1-2H3
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安全信息

RTECSXH5093927 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 270 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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