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Substance Name: Digoxin, teraacetate
RN: 29701-13-1
InChIKey: RASGVLIRXOAHJT-KXDZLFOKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C49-H72-O18

Molecular Weight

  • 949.09
 
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Names and Synonyms

Synonym

  • Tetraacetyldigoxin

Systematic Name

  • Digoxin, teraacetate

Registry Numbers

CAS Registry Number

  • 29701-13-1

System Generated Number

  • 0029701131

Structure Descriptors

InChI

1S/C49H72O18/c1-23-44(64-29(7)53)36(61-26(4)50)20-42(59-23)66-46-25(3)60-43(21-38(46)63-28(6)52)67-45-24(2)58-41(19-37(45)62-27(5)51)65-32-12-14-47(8)31(17-32)10-11-34-35(47)18-39(54)48(9)33(13-15-49(34,48)56)30-16-40(55)57-22-30/h16,23-25,31-39,41-46,54,56H,10-15,17-22H2,1-9H3/t23-,24-,25-,31-,32+,33-,34-,35+,36+,37+,38+,39-,41-,42-,43-,44-,45-,46-,47+,48+,49?/m1/s1

InChIKey

RASGVLIRXOAHJT-KXDZLFOKSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)[C@@H](C[C@H]3[C@@]2(C1)C)O)O)O[C@@H]1C[C@H](OC(=O)C)[C@H](O[C@@H]2C[C@H](OC(=O)C)[C@H](O[C@@H]3C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O3)C)[C@H](O2)C)[C@H](O1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraduodenal 17890ug/kg (17.89mg/kg)   Iugoslavica Physiologica et Pharmacologica Acta. Vol. 6, Pg. 67, 1970.