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Substance Name: Digoxin, tricetate
RN: 29382-73-8
InChIKey: QUCUYPPSYQTIMD-NRWGWERTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H70-O17

Molecular Weight

  • 907.053
 
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Names and Synonyms

Synonym

  • Triacetyldigoxin

Systematic Name

  • Digoxin, tricetate

Registry Numbers

CAS Registry Number

  • 29382-73-8

System Generated Number

  • 0029382738

Structure Descriptors

InChI

1S/C47H70O17/c1-22-42(60-26(5)49)34(51)18-39(56-22)64-44-24(3)57-40(20-36(44)63-41-19-35(59-25(4)48)43(23(2)58-41)61-27(6)50)62-30-11-13-45(7)29(16-30)9-10-32-33(45)17-37(52)46(8)31(12-14-47(32,46)54)28-15-38(53)55-21-28/h15,22-24,29-37,39-44,51-52,54H,9-14,16-21H2,1-8H3/t22-,23-,24-,29-,30+,31-,32-,33+,34+,35+,36+,37-,39-,40-,41-,42-,43-,44-,45+,46+,47?/m1/s1

InChIKey

QUCUYPPSYQTIMD-NRWGWERTSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraduodenal 16040ug/kg (16.04mg/kg)   Iugoslavica Physiologica et Pharmacologica Acta. Vol. 6, Pg. 67, 1970.