NAV

Indantadol

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

Identification

Generic Name
Indantadol
DrugBank Accession Number
DB12664
Background

Indantadol has been used in trials studying the treatment of Cough and Diabetic Peripheral Neuropathic Pain.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 190.246
Monoisotopic: 190.110613079
Chemical Formula
C11H14N2O
Synonyms
  • Indantadol
External IDs
  • V3381
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Pharmacology

Indication

Not Available

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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Indantadol hydrochlorideYHA48V735B202914-18-9JPNNIRXUJSPGRM-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Indanes / Aralkylamines / Primary carboxylic acid amides / Dialkylamines / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Alpha-amino acid amide / Amine / Aralkylamine / Aromatic homopolycyclic compound / Benzenoid / Carbonyl group / Carboxamide group / Hydrocarbon derivative / Indane / Organic nitrogen compound
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Z3867B9SQP
CAS number
202844-10-8
InChI Key
MNLULKBKWKTZPE-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,13H,5-7H2,(H2,12,14)
IUPAC Name
2-[(2,3-dihydro-1H-inden-2-yl)amino]acetamide
SMILES
NC(=O)CNC1CC2=CC=CC=C2C1

References

General References
Not Available
PubChem Compound
10192617
PubChem Substance
347828868
ChemSpider
8368117
ZINC
ZINC000000009005
Wikipedia
Indantadol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetic Neuropathies / Pain1
2CompletedTreatmentDiabetic Peripheral Neuropathic Pain (DPN)1
2TerminatedTreatmentCough1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.485 mg/mLALOGPS
logP0.79ALOGPS
logP0.59Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)16.4Chemaxon
pKa (Strongest Basic)8.61Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area55.12 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity54.95 m3·mol-1Chemaxon
Polarizability21.07 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-MSsplash10-015d-4900000000-fdd5d4056a935c6320c2
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-1900000000-c1007b3f1ec6de14b5d2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9100000000-d0e8080d75c5c73c702c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9100000000-86796c5f57564a27cf5f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kg-4900000000-58c76b38b1906c770105
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9600000000-ba4fe560873d4321f254
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-2900000000-1e9b4075b6eadba13efb
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]-138.76302
predicted
DeepCCS 1.0 (2019)
[M+H]+141.31384
predicted
DeepCCS 1.0 (2019)
[M+Na]+149.88918
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:32 / Updated at February 21, 2021 18:53