Theophylline, 8-(2-hydroxyethylamino)- 8-((2-羟乙基)氨基)-1,3-二甲基-3,9-二氢-1H-嘌呤-2,6-二酮

CAS 7654-01-5 MFCD00829235

化学结构图

7654-01-5
SMILES: Cn1c(=O)c2[nH]c(NCCO)nc2n(C)c1=O

化学属性

Mol. FormulaC9H13N5O3
Mol. Weight239.23

别名和识别编码

Chemical NameTheophylline, 8-(2-hydroxyethylamino)-
InChIKeyMPFKMHMADVNVJA-UHFFFAOYSA-N
Synonym 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {} {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {} {} {} {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {} {} {} {} {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione {} {} {} {} {} {} {} {} {} {LY} 8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-di
Wiswesser Line NotationT56 BM DN FNVNVJ CM2Q F1 H1
CAS Number7654-01-5
Beilstein Registry Number0264514
PubChem Substance ID202184
InChIInChI=1S/C9H13N5O3/c1-13-6-5(7(16)14(2)9(13)17)11-8(12-6)10-3-4-15/h15H,3-4H2,1-2H3,(H2,10,11,12)
Chemical Name Translation8-((2-羟乙基)氨基)-1,3-二甲基-3,9-二氢-1H-嘌呤-2,6-二酮
Canonical SMILESO=C(N1C)N(C)C2=C(N=C(NCCO)N2)C1=O
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安全信息

RTECSXH5855000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 18 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04372

Storage condition

系列性分类

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