Theophylline, 7-(p-(dimethylamino)benzyl)-, hydrochloride

CAS 1703-49-7 MFCD N/A

化学结构图

1703-49-7
SMILES: CN(C)c1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cl

化学属性

Mol. Weight349.86
Mol. FormulaC16H19N5O2.ClH

别名和识别编码

Chemical NameLJ 278
Synonym (p-Dimethylamino benzyl)-7 dimethyl-1,3 xanthine chlorhydrate p-Dimethylamino-benzyl theophylline chlorhydrate LJ 278 Theophylline, 7-(p-(dimethylamino)benzyl)-, hydrochloride
CAS Number1703-49-7
InChIKeyOAPNOVIISKMNEZ-UHFFFAOYSA-N
PubChem Substance ID121174
InChIInChI=1S/C16H19N5O2.ClH/c1-18(2)12-7-5-11(6-8-12)9-21-10-17-14-13(21)15(22)20(4)16(23)19(14)3;/h5-8,10H,9H2,1-4H3;1H
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安全信息

RTECSUO8440545 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 630 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FMXXAJ French Medicament Patent Document.  (U.S. Patent and Trademark
   Office, Foreign Patents, Washington, DC 20231)  Discontinued.
   Volume(issue)/page/year: #3586M

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 82500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FMXXAJ French Medicament Patent Document.  (U.S. Patent and Trademark
   Office, Foreign Patents, Washington, DC 20231)  Discontinued.
   Volume(issue)/page/year: #3586M

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 660 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FMXXAJ French Medicament Patent Document.  (U.S. Patent and Trademark
   Office, Foreign Patents, Washington, DC 20231)  Discontinued.
   Volume(issue)/page/year: #3586M

系列性分类

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