NAV

Dexisometheptene mucate

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

Identification

Generic Name
Dexisometheptene mucate
DrugBank Accession Number
DB16136
Background

Dexisometheptene mucate is under investigation in clinical trial NCT02423408 (Safety and Efficacy Study of TNX-201 Capsules for Treatment of Single Tension-type Headache).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 141.258
Monoisotopic: 141.151749616
Chemical Formula
C9H19N
Synonyms
  • (R)-isometheptene
  • Dexisometheptene
  • Isometheptene, (r)-
External IDs
  • TNX-200
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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
GOO8ZCK7RT
CAS number
1620401-56-0
InChI Key
XVQUOJBERHHONY-SECBINFHSA-N
InChI
InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3/t9-/m1/s1
IUPAC Name
methyl[(2R)-6-methylhept-5-en-2-yl]amine
SMILES
CN[C@H](C)CCC=C(C)C

References

General References
Not Available
ChemSpider
26360629
ChEMBL
CHEMBL1476245
ZINC
ZINC000001683250

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentTension Headache1

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 Solubility3.06 mg/mLALOGPS
logP2.07ALOGPS
logP2.32Chemaxon
logS-1.7ALOGPS
pKa (Strongest Basic)10.67Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity47.59 m3·mol-1Chemaxon
Polarizability18.47 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0ac9-9000000000-7cd7115d946f605d2a7c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0900000000-378e39a9a4756883ed6c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-2900000000-4b1b1eca9b26a2eb32eb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-066u-9000000000-b43c08e0321ad39237f7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-9100000000-1b47c847cd9c1f4d6bf4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05mo-9000000000-b213273473f295097ce5
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at December 20, 2020 03:37