NAV

Dimazole

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

Identification

Generic Name
Dimazole
DrugBank Accession Number
DB13858
Background

Dimazole (diamthazole) is an antifungal. It was withdrawn in Franch in 1972 due to neuropsychiatric reactions.

Type
Small Molecule
Groups
Approved, Withdrawn
Structure
3D
Similar Structures
Weight
Average: 293.43
Monoisotopic: 293.156183547
Chemical Formula
C15H23N3OS
Synonyms
  • Diamthazole
  • Dimazole
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Dimazole dihydrochloride3LF09TBB5W136-96-9FZNXAQMQVKBXDR-UHFFFAOYSA-N

Categories

ATC Codes
D01AE17 — Dimazole
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazoles
Sub Class
Not Available
Direct Parent
Benzothiazoles
Alternative Parents
Dialkylarylamines / Alkyl aryl ethers / Benzenoids / 2-amino-1,3-thiazoles / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
1,3-benzothiazole / 1,3-thiazol-2-amine / Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Dialkylarylamine / Ether
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2KL01R8ZV1
CAS number
95-27-2
InChI Key
WGMYEOIMVYADRJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3
IUPAC Name
6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C

References

General References
Not Available
ChemSpider
8384
ChEBI
103934
ChEMBL
CHEMBL1184360
ZINC
ZINC000000001271
Wikipedia
Dimazole

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 Solubility0.139 mg/mLALOGPS
logP3.57ALOGPS
logP3.48Chemaxon
logS-3.3ALOGPS
pKa (Strongest Basic)9.28Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area28.6 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity85.01 m3·mol-1Chemaxon
Polarizability34.42 Å3Chemaxon
Number of Rings2Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-740667685ebf703c2c5f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-2190000000-24e4f2853f2eb921a0f0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-2190000000-87e9d7fef7d120f2d356
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-0910000000-6d95e6d17ac6085159aa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9300000000-8ac674d00d818688089a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0910000000-8425399e67032cc24ebd
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]-180.2884656
predicted
DarkChem Lite v0.1.0
[M-H]-167.35706
predicted
DeepCCS 1.0 (2019)
[M+H]+181.3876656
predicted
DarkChem Lite v0.1.0
[M+H]+169.71506
predicted
DeepCCS 1.0 (2019)
[M+Na]+180.8942656
predicted
DarkChem Lite v0.1.0
[M+Na]+175.80821
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:50 / Updated at February 21, 2021 18:54