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digitoxin(1-)

CHEBI:CHEBI_145796

Definition

An organic anion that is the conjugate base of digitoxin resulting from the deprotonation of furanone moiety; major species at pH 7.3.

Chemical Information

Molecular Formula
C41H63O13
Molecular Mass
763.943
Charge
-1
SMILES
C1C[C@@H](C[C@@]2([C@]1([C@@]3([C@@](CC2)([C@@]4([C@](CC3)([C@](CC4)(C=5[CH-]OC(C5)=O)[H])C)O)[H])[H])C)[H])O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@@H]7O[C@@H]([C@H]([C@H](C7)O)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O)O)C)O
InChI
InChI=1S/C41H63O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,19-22,24-31,33-38,42-44,46-47H,6-13,15-18H2,1-5H3/q-1/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
InChIKey
YQICPRLGRXWDHI-XUDUSOBPSA-N

Alternative Names

  • digitoxin
  • digitoxin anion

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:145796

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Additional Attributes

chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_28544
owl#annotatedSource
t112077
owl#someValuesFrom
t165917
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:145796
core#notation
CHEBI:145796
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_28544
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class