Sequifenadine
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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
- Weight
- Average: 321.464
Monoisotopic: 321.209264493 - Chemical Formula
- C22H27NO
- Synonyms
- Sequifenadine
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareDroxidopa The therapeutic efficacy of Droxidopa can be increased when used in combination with Sequifenadine. Ephedrine The therapeutic efficacy of Ephedrine can be increased when used in combination with Sequifenadine. Epinephrine The therapeutic efficacy of Epinephrine can be increased when used in combination with Sequifenadine. Levonordefrin The therapeutic efficacy of Levonordefrin can be increased when used in combination with Sequifenadine. Norepinephrine The 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
- External Links
- ChemSpider
- 38810
- ChEMBL
- CHEMBL2105505
Clinical Trials
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
Property Value Source Water Solubility 0.0106 mg/mL ALOGPS logP 4.13 ALOGPS logP 4.14 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 13.19 Chemaxon pKa (Strongest Basic) 8.95 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 23.47 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 100.32 m3·mol-1 Chemaxon Polarizability 36.89 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-03xr-4960000000-13ccdbcbeb1f4404d71a Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0uk9-0009000000-a99b5d8e7930a857de7e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0109000000-a5c946a63add0194b618 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fk9-1119000000-7620b6e47f9ccc978475 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0100-0894000000-faa4ce6d658655b5623f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-044m-6960000000-f1b6aae07b3624055af5 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0900000000-a70d5a8e1dd44b93fda1 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 173.9072 predictedDeepCCS 1.0 (2019) [M+H]+ 176.26521 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.06517 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54