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metildigoxin

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EntityQ550017· pop 8· linked from 29 articles

metildigoxin

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Also known as methyldigoxin

Metildigoxin (INN, or medigoxin BAN, or methyldigoxin) is a cardiac glycoside, a type of drug that can be used in the treatment of congestive heart failure and cardiac arrhythmia (irregular heartbeat). The substance is closely related to digoxin; it differs from the latter only by an O-methyl group on the terminal monosaccharide.

Chemical data

Formula
C42H66O14
Molecular weight
795 g/mol
IUPAC name
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC
InChIKey
IYJMSDVSVHDVGT-PEQKVOOWSA-N
XLogP
1.8
Polar surface area
192 Ų
H-bond donors
5
H-bond acceptors
14
Formal charge
0

via PubChem

Drug data · ChEMBL

Max clinical phase
Phase 2
Molecule type
Small molecule
Indications
cardiovascular disease

via ChEMBL · EBI

Wikidata facts

Mass
794.445
Show 6 more facts
canonical SMILES
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC
chemical formula
C₄₂H₆₆O₁₄
isomeric SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC
subject has role
enzyme inhibitor
found in taxon
Digitalis lanata
defined daily dose
0.2
Sources (3)

via Wikidata · CC0

~2 min read

Encyclopedic overview

1 sections
Contents
  • References

{{Drugbox | verifiedrevid = 443935395 | IUPAC_name = (3β,5β,12β)-3-{[2,6-dideoxy-4-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide | image = medigoxin.png | image_class = skin-invert-image

| tradename = | Drugs.com = | pregnancy_category = C | legal_status = | routes_of_administration =

Excerpted from Wikipedia’s “metildigoxin” article, available under the CC BY-SA 4.0 licence.

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