7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline

CAS 314-92-1 MFCD00314921

化学结构图

314-92-1
SMILES: CCN(CC)CCn1c(C(O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

化学属性

Mol. Weight385.52
Mol. FormulaC20H27N5O3

别名和识别编码

Synonym 7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline Theophylline, 7-(2-diethylaminoethyl)-8-(alpha-hydroxybenzyl)-
Wiswesser Line NotationT56 BNVN FNVNVJ B2N2&2 DYQR& F1 H1
Chemical Name7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline
CAS Number314-92-1
InChIKeyPVEXGFAUDDOGQA-UHFFFAOYSA-N
PubChem Substance ID9413
InChIInChI=1S/C20H27N5O3/c1-5-24(6-2)12-13-25-15-17(22(3)20(28)23(4)19(15)27)21-18(25)16(26)14-10-8-7-9-11-14/h7-11,16,26H,5-6,12-13H2,1-4H3
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安全信息

RTECSDP1300000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#04463

系列性分类

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