NAV

Amithiozone

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

Identification

Generic Name
Amithiozone
DrugBank Accession Number
DB12829
Background

Amithiozone has been used in trials studying the treatment of Mycobacterium Avium-intracellulare Infection.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 236.29
Monoisotopic: 236.073182196
Chemical Formula
C10H12N4OS
Synonyms
  • Amithiozone
  • Thioacetazone
  • Thioacétazone
  • Thioacetazonum
  • Tioacetazona
External IDs
  • NSC-3550
  • RP 4207
  • SDT 1041
  • SQ-2321
  • TB I-698
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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.
DrugInteraction
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interactions in your software
AcenocoumarolThe risk or severity of bleeding can be increased when Amithiozone is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Amithiozone is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Amithiozone is combined with Articaine.
Bacillus calmette-guerin substrain russian BCG-I live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Amithiozone.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Amithiozone.
Food Interactions
Not Available

Products

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Categories

ATC Codes
J04AM04 — Thioacetazone and isoniazidJ04AK07 — Thioacetazone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Acetanilides
Alternative Parents
N-acetylarylamines / Thiosemicarbazones / Acetamides / Secondary carboxylic acid amides / Organosulfur compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Acetamide / Acetanilide / Aromatic homomonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Hydrocarbon derivative / N-acetylarylamine / N-arylamide / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
MMG78X7SSR
CAS number
104-06-3
InChI Key
SRVJKTDHMYAMHA-WUXMJOGZSA-N
InChI
InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+
IUPAC Name
N-{4-[(E)-[(carbamothioylamino)imino]methyl]phenyl}acetamide
SMILES
CC(=O)NC1=CC=C(\C=N\NC(N)=S)C=C1

References

General References
Not Available
PubChem Compound
9568512
PubChem Substance
347828995
ChemSpider
7843221
ChEMBL
CHEMBL375492
ZINC
ZINC000017970372
Wikipedia
Thioacetazone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMycobacterium avium complex infection1
Not AvailableRecruitingNot AvailableTuberculosis (TB)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet150 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0505 mg/mLALOGPS
logP1.75ALOGPS
logP0.9Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)11.71Chemaxon
pKa (Strongest Basic)2.49Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area79.51 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity69.1 m3·mol-1Chemaxon
Polarizability25.1 Å3Chemaxon
Number of Rings1Chemaxon
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/MSsplash10-000i-0190000000-3c919bbfbbfbfea6cdbb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-7896db2b20392a8bb47c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0hiy-0900000000-2d3830e0080d38df0c4a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-4910000000-8d00b6f69e2fa9f6f9c5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-e90bc66a572a70a1a707
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08fr-1900000000-97fe07db713826c8ed05
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]-160.6973355
predicted
DarkChem Lite v0.1.0
[M-H]-159.17969
predicted
DeepCCS 1.0 (2019)
[M+H]+161.3767355
predicted
DarkChem Lite v0.1.0
[M+H]+161.53769
predicted
DeepCCS 1.0 (2019)
[M+Na]+161.0781355
predicted
DarkChem Lite v0.1.0
[M+Na]+167.63081
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:33 / Updated at June 12, 2020 16:53