Digitoxin acetonide

CAS 7685-48-5 MFCD N/A

化学结构图

7685-48-5
SMILES: CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC3OC(C)(C)OC3C(C)O2)C(C)O1

化学属性

Mol. Weight805.12
Mol. FormulaC44H68O13

别名和识别编码

Synonym O-Isopropylidene digitoxin Digitoxin acetonide Mono-O-isopropylidene digitoxin
Chemical Name5-beta-Card-20(22)-enolide, 3-beta-((O-2,6-dideoxy-3,4-O-isopropylidene-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-
CAS Number7685-48-5
InChIKeyKFAYAZVXZCHDLA-UHFFFAOYSA-N
PubChem Substance ID197877
InChIInChI=1S/C44H68O13/c1-22-38(54-36-19-32(46)39(23(2)51-36)55-37-20-33-40(24(3)52-37)57-41(4,5)56-33)31(45)18-35(50-22)53-27-10-13-42(6)26(17-27)8-9-30-29(42)11-14-43(7)28(12-15-44(30,43)48)25-16-34(47)49-21-25/h16,22-24,26-33,35-40,45-46,48H,8-15,17-21H2,1-7H3
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安全信息

RTECSFH4919858 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 2520 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 55,1350,1966

系列性分类

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