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Desfesoterodine

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

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Identification

Summary

Desfesoterodine is an antimuscarinic agent indicated in the symptomatic treatment of urinary frequency or incontinence.

Generic Name
Desfesoterodine
DrugBank Accession Number
DB15578
Background

Desfesoterodine is a metabolite of tolterodine.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 341.487
Monoisotopic: 341.235479241
Chemical Formula
C22H31NO2
Synonyms
  • 5-Hydroxymethyltolterodine
  • Desfesoterodine
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Symptomatic treatment ofIncreased urinary frequency•••••••••••••••••••••••• •••••••• •••••••
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.
Not Available
Food Interactions
Not Available

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Categories

ATC Codes
G04BD13 — Desfesoterodine
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
YU871O78GR
CAS number
207679-81-0
InChI Key
DUXZAXCGJSBGDW-HXUWFJFHSA-N
InChI
InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
IUPAC Name
2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=CC(CO)=CC=C1O)C(C)C

References

General References
  1. DIMDI Product Information: TOVEDESO (desfesoterodine) oral tablet [Link]
Human Metabolome Database
HMDB0013973
ChemSpider
7995131
ChEMBL
CHEMBL3348932
ZINC
ZINC000000006047
Wikipedia
Desfesoterodine

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, extended releaseOral3.5 MG
Tablet, extended releaseOral7 MG
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0288 mg/mLALOGPS
logP4.59ALOGPS
logP3.43Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)9.58Chemaxon
pKa (Strongest Basic)10.82Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area43.7 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity105.73 m3·mol-1Chemaxon
Polarizability40.18 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-03dl-8893000000-0713ea23eb10c23a1416
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0439000000-ca2e643688eb427c5df5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-a9d5090ece94392147d8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-4965000000-20f07f9f3e581a550556
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-107l-5975000000-488cf3bf3d682091fd94
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-4910000000-cfeaf5f2e43cde7cf324
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pb9-4893000000-fa0867a0d4cf84593d17
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-200.8190184
predicted
DarkChem Lite v0.1.0
[M-H]-199.9772184
predicted
DarkChem Lite v0.1.0
[M-H]-188.31879
predicted
DeepCCS 1.0 (2019)
[M+H]+200.4166184
predicted
DarkChem Lite v0.1.0
[M+H]+200.3049184
predicted
DarkChem Lite v0.1.0
[M+H]+190.6768
predicted
DeepCCS 1.0 (2019)
[M+Na]+200.4051184
predicted
DarkChem Lite v0.1.0
[M+Na]+200.1739184
predicted
DarkChem Lite v0.1.0
[M+Na]+197.30109
predicted
DeepCCS 1.0 (2019)

Drug created at November 29, 2019 17:54 / Updated at May 14, 2021 01:07