Metildigoxin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Summary

Metildigoxin is a digitalis glycoside indicated in the treatment of acute and chronic heart failure.

Generic Name
Metildigoxin
DrugBank Accession Number
DB13401
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 794.976
Monoisotopic: 794.445256805
Chemical Formula
C42H66O14
Synonyms
  • Metildigoxin
  • Metildigoxina

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofAcute heart failure (ahf)••••••••••••
Treatment ofChronic heart failure (chf)••••••••••••
Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AbaloparatideThe risk or severity of adverse effects can be increased when Abaloparatide is combined with Metildigoxin.
AbrocitinibAbrocitinib may decrease the excretion rate of Metildigoxin which could result in a higher serum level.
AcarboseThe serum concentration of Metildigoxin can be decreased when it is combined with Acarbose.
AcebutololAcebutolol may increase the arrhythmogenic activities of Metildigoxin.
AceclofenacAceclofenac may decrease the excretion rate of Metildigoxin which could result in a higher serum level.
Food Interactions
Not Available

Products

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Categories

ATC Codes
C01AA08 — Metildigoxin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Steroid lactones
Direct Parent
Cardenolide glycosides and derivatives
Alternative Parents
Steroidal glycosides / Oligosaccharides / 12-hydroxysteroids / 14-hydroxysteroids / O-glycosyl compounds / Oxanes / Butenolides / Tertiary alcohols / Enoate esters / Secondary alcohols
show 9 more
Substituents
12-hydroxysteroid / 14-hydroxysteroid / 2-furanone / Acetal / Alcohol / Aliphatic heteropolycyclic compound / Alpha,beta-unsaturated carboxylic ester / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester
show 22 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
I7GG1YUC5V
CAS number
30685-43-9
InChI Key
IYJMSDVSVHDVGT-PEQKVOOWSA-N
InChI
InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
IUPAC Name
4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-11,16-dihydroxy-5-{[(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}-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one
SMILES
[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O)[C@]12C)O[C@@]1([H])C[C@]([H])(O)[C@]([H])(O[C@@]2([H])C[C@]([H])(O)[C@]([H])(O[C@@]3([H])C[C@]([H])(O)[C@]([H])(OC)[C@@]([H])(C)O3)[C@@]([H])(C)O2)[C@@]([H])(C)O1)C1=CC(=O)OC1

References

General References
  1. AIFA Product Information: Lanitop (methyldigoxin) oral tablet [Link]
ChemSpider
392000
RxNav
6686
ChEBI
135885
ChEMBL
CHEMBL1697843
ZINC
ZINC000254011770
Wikipedia
Metildigoxin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, solutionIntravenous0.2 mg/2mL
Solution / dropsOral0.6 MG/ML
TabletOral0.05 MG
TabletOral0.097 mg
TabletOral
Injection, solutionIntravenous
TabletOral0.1 MG
SolutionIntravenous0.2 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0608 mg/mLALOGPS
logP1.78ALOGPS
logP3.01Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)7.15Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count13Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area192.06 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity197.98 m3·mol-1Chemaxon
Polarizability86.59 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-0200000900-7b014c81b08f90c02f0f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002e-0300014900-f9533ffdc60794943aa7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-0920000400-c2816653285b92cf331c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01r7-1600003900-725a5bf4bf3f329e26c2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00r2-3924062800-277420438e4a601c547c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-2210102900-ae220502a0c690f71132
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-309.4055295
predicted
DarkChem Lite v0.1.0
[M+H]+306.9300295
predicted
DarkChem Lite v0.1.0
[M+Na]+309.4058295
predicted
DarkChem Lite v0.1.0

Drug created at June 23, 2017 20:41 / Updated at June 02, 2021 20:04