Brovanexine

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

Identification

Generic Name
Brovanexine
DrugBank Accession Number
DB14720
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 568.306
Monoisotopic: 566.041583
Chemical Formula
C24H28Br2N2O4
Synonyms
  • Brovanexina
  • Brovanexine
  • Brovanexinum
External IDs
  • U 389

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Brovanexine hydrochloride51I4IS0SMG54340-60-2GOPILTWRTSSNPV-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Y00SD533IW
CAS number
54340-61-3
InChI Key
DQTRREPKGJIABH-UHFFFAOYSA-N
InChI
InChI=1S/C24H28Br2N2O4/c1-15(29)32-21-10-9-16(12-22(21)31-3)24(30)27-23-17(11-18(25)13-20(23)26)14-28(2)19-7-5-4-6-8-19/h9-13,19H,4-8,14H2,1-3H3,(H,27,30)
IUPAC Name
4-[(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)carbamoyl]-2-methoxyphenyl acetate
SMILES
COC1=C(OC(C)=O)C=CC(=C1)C(=O)NC1=C(CN(C)C2CCCCC2)C=C(Br)C=C1Br

References

General References
Not Available
ChemSpider
142390
RxNav
19791
ChEBI
135832
ChEMBL
CHEMBL2105477
ZINC
ZINC000004212197

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 Solubility0.000345 mg/mLALOGPS
logP5.58ALOGPS
logP5.79Chemaxon
logS-6.2ALOGPS
pKa (Strongest Acidic)14.07Chemaxon
pKa (Strongest Basic)8.8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area67.87 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity133.99 m3·mol-1Chemaxon
Polarizability52.6 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-014i-0200490000-893f41c94b4809333b3b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0avi-0000290000-d1f0d30b9b9532902f14
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00or-0100290000-61832c2d2a95b203d3d7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-3100970000-c8c2c04e064305d8849f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-0901340000-675c0823485e9040a294
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9211530000-37bf7a705dc579e5321d
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 06, 2018 17:23 / Updated at February 21, 2021 18:54