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Substance Name: Mono-O-ethylidene digoxin
RN: 27799-56-0
InChIKey: XSIFZKGDUSXJRD-UHFFFAOYSA-N

Molecular Formula

  • C43-H66-O14

Molecular Weight

  • 806.98
 
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Names and Synonyms

Results Name

  • Mono-O-ethylidene digoxin

Synonym

  • Mono-O-ethylidene digoxin

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)-12-beta,14-dihydroxy-

Registry Numbers

CAS Registry Number

  • 27799-56-0

System Generated Number

  • 0027799560

Structure Descriptors

InChI

1S/C43H66O14/c1-20-38(56-36-17-31(45)39(21(2)51-36)57-37-18-32-40(22(3)52-37)54-23(4)53-32)30(44)16-35(50-20)55-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(46)42(6)27(10-12-43(28,42)48)24-13-34(47)49-19-24/h13,20-23,25-33,35-40,44-46,48H,7-12,14-19H2,1-6H3

InChIKey

XSIFZKGDUSXJRD-UHFFFAOYSA-N

Smiles

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H](C[C@@H]2O)O[C@@H]2[C@@H](O[C@@H](C[C@@H]2O)O[C@@H]2CC[C@@]3([C@@H]4C[C@@H]([C@@]5([C@@H](CC[C@@]5([C@@H]4CC[C@@H]3C2)O)C2=CC(OC2)=O)C)O)C)C)C)C[C@@H]2O[C@@H](O[C@@H]12)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 375ug/kg (0.375mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 412, 1970.