Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-

CAS 78960-43-7 MFCD01682369

化学结构图

78960-43-7
SMILES: CN1C(=O)C2=C(N=C(NCC=C)N2CC(O)CO)N(C)C1=O

化学属性

Mol. FormulaC13H19N5O4
Mol. Weight309.37

别名和识别编码

Chemical NameTheophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-
Wiswesser Line NotationT56 BN DN FNVNVJ B1YQ1Q CM2U1 F1 H1
Synonym 8-Allylamino-7-(2,3-dihydroxypropyl)theophylline
Beilstein Registry Number5131217
CAS Number78960-43-7
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安全信息

RTECSXH3859800 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 655 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 15,407,1981

系列性分类

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