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Substance Name: Monoethylidene digitoxin
RN: 27799-57-1
InChIKey: IEZRPAYZFJKMAJ-HMLRHFGRSA-N

Molecular Formula

  • C43-H66-O13

Molecular Weight

  • 790.9814
 
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Names and Synonyms

Results Name

  • Monoethylidene digitoxin

Synonym

  • Mono-ethylidene digitoxin

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((O-2,6-dideoxy-3,4-O-ethylidene-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-

Registry Numbers

CAS Registry Number

  • 27799-57-1

System Generated Number

  • 0027799571

Structure Descriptors

InChI

1S/C43H66O13/c1-21-38(55-36-18-32(45)39(22(2)50-36)56-37-19-33-40(23(3)51-37)53-24(4)52-33)31(44)17-35(49-21)54-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)47)25-15-34(46)48-20-25/h15,21-24,26-33,35-40,44-45,47H,7-14,16-20H2,1-6H3/t21-,22-,23-,24?,26-,27-,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

InChIKey

IEZRPAYZFJKMAJ-HMLRHFGRSA-N

Smiles

CC1O[C@H]2C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4[C@@H](O)C[C@H](O[C@@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5)O[C@@H]4C)O[C@@H]3C)O[C@H](C)[C@H]2O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 1050ug/kg (1.05mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 412, 1970.