Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride

CAS 1239-54-9 MFCD01750367

化学结构图

1239-54-9
SMILES: Cl.Cn1c(=O)c2c(ncn2CCNCCc2ccccc2)n(C)c1=O

化学属性

Mol. FormulaC17H21N5O2
Mol. Weight327.43

别名和识别编码

Chemical NameTheophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
Wiswesser Line NotationT56 BN DN FNVNVJ B2M2R& F1 H1 &GH
Synonym 7-(2-(Phenethylamino)ethyl)theophylline hydrochloride 7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid beta-PT
CAS Number1239-54-9
InChIKeyIRTFXFYHQCPNEH-UHFFFAOYSA-N
PubChem Substance ID121080
InChIInChI=1S/C17H21N5O2.ClH/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)11-10-18-9-8-13-6-4-3-5-7-13;/h3-7,12,18H,8-11H2,1-2H3;1H
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安全信息

RTECSXH6487200 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 49 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - muscle contraction or spasticity
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 8,190,1958

系列性分类

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