NAV

Dexmecamylamine

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

Identification

Generic Name
Dexmecamylamine
DrugBank Accession Number
DB11807
Background

Dexmecamylamine has been used in trials studying the basic science and treatment of Patients, Depression, Drug Abuse, Pharmacokinetics, and Renal Impairment, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 167.296
Monoisotopic: 167.16739968
Chemical Formula
C11H21N
Synonyms
  • Dexmecamylamine
External IDs
  • TC-5214
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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
Dexmecamylamine HydrochlorideW3079LM7E7107596-30-5PKVZBNCYEICAQP-GSTSRXQZSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Monoterpenoids
Direct Parent
Bicyclic monoterpenoids
Alternative Parents
Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Aliphatic homopolycyclic compound / Amine / Bicyclic monoterpenoid / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Secondary aliphatic amine / Secondary amine
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5Y1141YI4U
CAS number
107538-05-6
InChI Key
IMYZQPCYWPFTAG-NGZCFLSTSA-N
InChI
InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1
IUPAC Name
(1R,2S,4S)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
SMILES
CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C

References

General References
Not Available
PubChem Compound
12358972
PubChem Substance
347828154
ChemSpider
28528374
BindingDB
50045047
ChEMBL
CHEMBL2103881
ZINC
ZINC000043763856

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDepression / Major Depressive Disorder (MDD)4
3CompletedTreatmentMajor Depressive Disorder (MDD)1
2Active Not RecruitingTreatmentHyperhidrosis / Palmar Hyperhidrosis1
2CompletedTreatmentDepression / Major Depressive Disorder (MDD)1
2CompletedTreatmentOveractive Bladder Syndrome (OABS)1

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 Solubility0.124 mg/mLALOGPS
logP3.13ALOGPS
logP2.37Chemaxon
logS-3.1ALOGPS
pKa (Strongest Basic)10.88Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity51.83 m3·mol-1Chemaxon
Polarizability20.71 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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-MSsplash10-1000-7900000000-b4810454af19b865d662
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-c99171f61db55fc3dcc7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-5f33c2bf46cd918a029f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-8301ead1142ffc12f981
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05r0-4900000000-b4e9fdf65a577bd93c4e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-85e036f17e86ecb0567b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lf-9200000000-5116aa056eedf037d105
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]-146.51225
predicted
DeepCCS 1.0 (2019)
[M+H]+148.90782
predicted
DeepCCS 1.0 (2019)
[M+Na]+154.82034
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:49 / Updated at February 21, 2021 18:53