NAV

Sequifenadine

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

Identification

Generic Name
Sequifenadine
DrugBank Accession Number
DB13566
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 321.464
Monoisotopic: 321.209264493
Chemical Formula
C22H27NO
Synonyms
  • Sequifenadine
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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.
DrugInteraction
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interactions in your software
DroxidopaThe therapeutic efficacy of Droxidopa can be increased when used in combination with Sequifenadine.
EphedrineThe therapeutic efficacy of Ephedrine can be increased when used in combination with Sequifenadine.
EpinephrineThe therapeutic efficacy of Epinephrine can be increased when used in combination with Sequifenadine.
LevonordefrinThe therapeutic efficacy of Levonordefrin can be increased when used in combination with Sequifenadine.
NorepinephrineThe therapeutic efficacy of Norepinephrine can be increased when used in combination with Sequifenadine.
Food Interactions
Not Available

Categories

ATC Codes
R06AX32 — Sequifenadine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Quinuclidines / Toluenes / Aralkylamines / Piperidines / Tertiary alcohols / 1,3-aminoalcohols / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
show 1 more
Substituents
1,3-aminoalcohol / Alcohol / Amine / Aralkylamine / Aromatic alcohol / Aromatic heteropolycyclic compound / Azacycle / Diphenylmethane / Hydrocarbon derivative / Organic nitrogen compound
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C7Q3TBR3FP
CAS number
57734-69-7
InChI Key
OXDOWGVJMITMJL-UHFFFAOYSA-N
InChI
InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3
IUPAC Name
{1-azabicyclo[2.2.2]octan-3-yl}bis(2-methylphenyl)methanol
SMILES
CC1=CC=CC=C1C(O)(C1CN2CCC1CC2)C1=CC=CC=C1C

References

General References
Not Available
ChemSpider
38810
ChEMBL
CHEMBL2105505

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0106 mg/mLALOGPS
logP4.13ALOGPS
logP4.14Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)13.19Chemaxon
pKa (Strongest Basic)8.95Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity100.32 m3·mol-1Chemaxon
Polarizability36.89 Å3Chemaxon
Number of Rings4Chemaxon
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-MSsplash10-03xr-4960000000-13ccdbcbeb1f4404d71a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0009000000-a99b5d8e7930a857de7e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0109000000-a5c946a63add0194b618
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-1119000000-7620b6e47f9ccc978475
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0100-0894000000-faa4ce6d658655b5623f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-044m-6960000000-f1b6aae07b3624055af5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-a70d5a8e1dd44b93fda1
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]-173.9072
predicted
DeepCCS 1.0 (2019)
[M+H]+176.26521
predicted
DeepCCS 1.0 (2019)
[M+Na]+183.06517
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54