NAV

Bunazosin

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

Identification

Generic Name
Bunazosin
DrugBank Accession Number
DB12230
Background

Bunazosin has been used in trials studying the treatment of High Blood Pressure.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 373.457
Monoisotopic: 373.211389749
Chemical Formula
C19H27N5O3
Synonyms
  • Bunazosin
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
AcebutololAcebutolol may increase the orthostatic hypotensive activities of Bunazosin.
AlfuzosinBunazosin may increase the hypotensive activities of Alfuzosin.
AmiodaroneThe risk or severity of hypotension can be increased when Bunazosin is combined with Amiodarone.
AmitriptylineAmitriptyline may increase the orthostatic hypotensive, hypotensive, and antihypertensive activities of Bunazosin.
AmlodipineThe risk or severity of hypotension can be increased when Bunazosin is combined with Amlodipine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Bunazosin hydrochloride18V54TZ7U652712-76-2NBGBEUITCPENLJ-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolinamines
Alternative Parents
Dialkylarylamines / Anisoles / Aminopyrimidines and derivatives / Alkyl aryl ethers / 1,4-diazepanes / Imidolactams / Tertiary carboxylic acid amides / Heteroaromatic compounds / Amino acids and derivatives / Azacyclic compounds
show 5 more
Substituents
1,4-diazepane / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminopyrimidine / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9UUW4V7G2H
CAS number
80755-51-7
InChI Key
RHLJLALHBZGAFM-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)
IUPAC Name
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one
SMILES
CCCC(=O)N1CCCN(CC1)C1=NC(N)=C2C=C(OC)C(OC)=CC2=N1

References

General References
Not Available
PubChem Compound
2472
PubChem Substance
347828509
ChemSpider
2378
BindingDB
50088386
RxNav
19850
ChEBI
135576
ChEMBL
CHEMBL188185
ZINC
ZINC000000601249
Wikipedia
Bunazosin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentHypertension1

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 Solubility0.584 mg/mLALOGPS
logP2.66ALOGPS
logP1.94Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)7.26Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area93.81 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity105.53 m3·mol-1Chemaxon
Polarizability40.08 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-00di-0009000000-0ad08ad1e6d67505fb60
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-9b53733021a6269bfe51
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-f2d0081b5cee2b56f366
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-830ad48cd572f53de493
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6t-4039000000-8fe561a578841259ea88
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-7098000000-e95c16e0ff15bb8d96ee
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]-206.2874526
predicted
DarkChem Lite v0.1.0
[M-H]-184.45424
predicted
DeepCCS 1.0 (2019)
[M+H]+206.6668526
predicted
DarkChem Lite v0.1.0
[M+H]+186.99246
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.23555
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:41 / Updated at February 21, 2021 18:53