Theophylline, 7-(p-(dimethylamino)benzyl)- 7-(4-(二甲基氨基)苄基)-1,3-二甲基-1H-嘌呤-2,6(3H,7H)-二酮

CAS 1703-48-6 MFCD00868700

化学结构图

1703-48-6
SMILES: CN(C)c1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1

化学属性

Mol. FormulaC16H19N5O2
Mol. Weight313.35

别名和识别编码

Chemical NameTheophylline, 7-(p-(dimethylamino)benzyl)-
Synonym Dimabefylline {hazard_com} 7-(p-(Dimethylamino)benzyl)theophylline 7-(p-Dimethylaminobenzyl)-1,3-dimethylxanthine
Beilstein Registry Number1160295
CAS Number1703-48-6
PubChem Substance ID71646
InChIInChI=1S/C16H19N5O2/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
Chemical Name Translation 7-(4-(二甲基氨基)苄基)-1,3-二甲基-1H-嘌呤-2,6(3H,7H)-二酮
Canonical SMILESCN(C1=CC=C(C=C1)CN2C=NC3=C2C(N(C(N3C)=O)C)=O)C
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安全信息

RTECSXH5113000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 166,398,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 605 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 166,398,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 70 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 166,398,1967

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 :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 166,398,1

Storage condition

系列性分类

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