NAV

Vorozole

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

Identification

Generic Name
Vorozole
DrugBank Accession Number
DB13767
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 324.77
Monoisotopic: 324.0890221
Chemical Formula
C16H13ClN6
Synonyms
  • Vorozol
  • Vorozole
  • Vorozolum
External IDs
  • R 83842
  • R-83842
  • R-83942
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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.
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AmbroxolThe risk or severity of methemoglobinemia can be increased when Vorozole is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Vorozole is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Vorozole is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Vorozole is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Vorozole is combined with Bupivacaine.
Food Interactions
Not Available

Products

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International/Other Brands
Rivizor

Categories

ATC Codes
L02BG05 — Vorozole
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzotriazoles
Sub Class
Not Available
Direct Parent
Benzotriazoles
Alternative Parents
Chlorobenzenes / Aryl chlorides / Triazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
1,2,3-triazole / 1,2,4-triazole / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azole / Benzenoid / Benzotriazole / Chlorobenzene
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1E2S9YXV2A
CAS number
129731-10-8
InChI Key
XLMPPFTZALNBFS-INIZCTEOSA-N
InChI
InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
IUPAC Name
6-[(S)-(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H-1,2,3-benzotriazole
SMILES
CN1N=NC2=CC=C(C=C12)[C@@H](N1C=NC=N1)C1=CC=C(Cl)C=C1

References

General References
Not Available
ChemSpider
5293402
BindingDB
50378780
ChEBI
135387
ChEMBL
CHEMBL224060
ZINC
ZINC000003791538
Wikipedia
Vorozole

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility0.204 mg/mLALOGPS
logP2.53ALOGPS
logP3.28Chemaxon
logS-3.2ALOGPS
pKa (Strongest Basic)2.18Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area61.42 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity111.05 m3·mol-1Chemaxon
Polarizability32.54 Å3Chemaxon
Number of Rings4Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a6r-4190000000-a6a98579d6f21a6ba73b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-0090000000-188fe6591609b68c646d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0029000000-e13e45e2247a4f4d03c9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0093000000-19e22d90e77e83e1a0c5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-0095000000-4b444d9e216ec7232e2f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kg-2290000000-37094c97ee0ccb8b47f0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-0090000000-ccc7cfeb031adfb9b8c3
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]-169.3579
predicted
DeepCCS 1.0 (2019)
[M+H]+171.7159
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.53584
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54