NAV

Arverapamil

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

Identification

Generic Name
Arverapamil
DrugBank Accession Number
DB06669
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 440.584
Monoisotopic: 440.267507647
Chemical Formula
C26H36N2O4
Synonyms
  • (R)-norverapamil
External IDs
  • AGI-003
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Pharmacology

Indication

Investigated for use/treatment in irritable bowel syndrome (IBS) and diarrhea.

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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

Hover over products below to view reaction partners

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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International/Other Brands
Rezular

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylbutylamines
Direct Parent
Phenylbutylamines
Alternative Parents
Dimethoxybenzenes / Phenylpropanes / Phenethylamines / Phenoxy compounds / Anisoles / Aralkylamines / Alkyl aryl ethers / Nitriles / Dialkylamines / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic homomonocyclic compound / Carbonitrile / Cyanide / Dimethoxybenzene / Ether / Hydrocarbon derivative
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3J8P56R04P
CAS number
123932-43-4
InChI Key
UPKQNCPKPOLASS-AREMUKBSSA-N
InChI
InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3/t26-/m1/s1
IUPAC Name
(2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile
SMILES
COC1=CC=C(CCNCCC[C@@](C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC

References

General References
Not Available
ChemSpider
23936921
ChEBI
134082
ZINC
ZINC000013492624

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDiarrhoea Predominant Irritable Bowel Syndrome1

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00293 mg/mLALOGPS
logP4.41ALOGPS
logP4.66Chemaxon
logS-5.2ALOGPS
pKa (Strongest Basic)10.29Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area72.74 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity127.35 m3·mol-1Chemaxon
Polarizability50.96 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-1022900000-d76bfd401c2ed6991df1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0020900000-06001b53385c7009d288
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-9282200000-3b39f27c73ce4c7221eb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06r6-1048900000-fa19bdf6e410a2f2b422
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02vl-2690200000-0d877346fd814083a23f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufr-1329100000-9f228e25e30742dbb7f9
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]-198.97655
predicted
DeepCCS 1.0 (2019)
[M+H]+201.33455
predicted
DeepCCS 1.0 (2019)
[M+Na]+207.42769
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:47 / Updated at June 12, 2020 16:52