NAV

Etripamil

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

Identification

Generic Name
Etripamil
DrugBank Accession Number
DB12605
Background

Etripamil has been used in trials studying the treatment of Paroxysmal Supraventricular Tachycardia (PSVT).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 452.595
Monoisotopic: 452.267507647
Chemical Formula
C27H36N2O4
Synonyms
  • Etripamil
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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
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 / Benzoic acid esters / Phenylpropanes / Phenethylamines / Phenoxy compounds / Benzoyl derivatives / Anisoles / Aralkylamines / Alkyl aryl ethers / Methyl esters
show 5 more
Substituents
Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic homomonocyclic compound / Benzoate ester / Benzoic acid or derivatives / Benzoyl / Carbonitrile
show 22 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
S82A18Y42P
CAS number
1593673-23-4
InChI Key
VAZNEHLGJGSQEL-MHZLTWQESA-N
InChI
InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1
IUPAC Name
methyl 3-(2-{[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-4-(propan-2-yl)butyl](methyl)amino}ethyl)benzoate
SMILES
COC(=O)C1=CC(CCN(C)CCC[C@](C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)=CC=C1

References

General References
Not Available
PubChem Compound
91824132
PubChem Substance
347828821
ChemSpider
44208826
ChEMBL
CHEMBL3707312
ZINC
ZINC000142261274

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentCoronavirus Disease 2019 (COVID‑19) / Paroxysmal Supraventricular Tachycardia (PSVT)1
3CompletedTreatmentParoxysmal Supraventricular Tachycardia (PSVT)1
3Enrolling by InvitationTreatmentParoxysmal Supraventricular Tachycardia (PSVT)1
3RecruitingTreatmentParoxysmal Supraventricular Tachycardia (PSVT) / Supraventricular Tachycardia (SVT)1
3TerminatedTreatmentParoxysmal Supraventricular Tachycardia (PSVT)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 Solubility0.00305 mg/mLALOGPS
logP4.56ALOGPS
logP5.36Chemaxon
logS-5.2ALOGPS
pKa (Strongest Basic)9.52Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area71.79 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity131.75 m3·mol-1Chemaxon
Polarizability51.46 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0fk9-0012900000-6b2f60dcd9fe68f18f2c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gb9-0222900000-3c2cab33f6388c6b557c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ko-0139600000-fa95ce18e0572d5201e4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001c-9786600000-2a23e24b8be7103e9707
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ldr-0747900000-746d73f356f03a201d0a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-1960200000-15b9557beddba9978f91
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]-205.52678
predicted
DeepCCS 1.0 (2019)
[M+H]+207.88477
predicted
DeepCCS 1.0 (2019)
[M+Na]+213.97792
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:10 / Updated at February 21, 2021 18:53