Ditazole

Identification

Name
Ditazole
Accession Number
DB08994
Type
Small Molecule
Groups
Experimental, Withdrawn
Description

Ditazole is a non-steroidal anti-inflammatory agent with analgesic and antipyretic activity similar to phenylbutazone. Additionally, ditazole is a platelet aggregation inhibitor marketed in Spain and Portugal with trade name Ageroplas.

Structure
Thumb
Synonyms
  • 2,2'-(4,5-Diphenyloxazol-2-ylazanediyl)diethanol
External IDs
S-222
International/Other Brands
Ageroplas (Farma Lepori)
Categories
UNII
H2BQI5Z8FT
CAS number
18471-20-0
Weight
Average: 324.3737
Monoisotopic: 324.147392516
Chemical Formula
C19H20N2O3
InChI Key
UUCMDZWCRNZCOY-UHFFFAOYSA-N
InChI
InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2
IUPAC Name
2-[(diphenyl-1,3-oxazol-2-yl)(2-hydroxyethyl)amino]ethan-1-ol
SMILES
OCCN(CCO)C1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(1,2,6,7-3H)TestosteroneThe therapeutic efficacy of Ditazole can be increased when used in combination with (1,2,6,7-3H)Testosterone.
(R)-warfarinThe risk or severity of bleeding can be increased when Ditazole is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Ditazole is combined with (S)-Warfarin.
1-TestosteroneThe therapeutic efficacy of Ditazole can be increased when used in combination with 1-Testosterone.
18-methyl-19-nortestosteroneThe therapeutic efficacy of Ditazole can be increased when used in combination with 18-methyl-19-nortestosterone.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Ditazole is combined with 4-hydroxycoumarin.
4-HydroxytestosteroneThe therapeutic efficacy of Ditazole can be increased when used in combination with 4-Hydroxytestosterone.
5beta-dihydrotestosteroneThe therapeutic efficacy of Ditazole can be increased when used in combination with 5beta-dihydrotestosterone.
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Ditazole.
AceclofenacThe risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Ditazole.
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D07138
PubChem Compound
29088
PubChem Substance
310264955
ChemSpider
27061
ChEBI
135383
ChEMBL
CHEMBL2104306
Drugs.com
Drugs.com Drug Page
Wikipedia
Ditazole
ATC Codes
B01AC01 — Ditazole

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.146 mg/mLALOGPS
logP2.86ALOGPS
logP2.93ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)15.27ChemAxon
pKa (Strongest Basic)-0.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area69.73 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity93.03 m3·mol-1ChemAxon
Polarizability35.89 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Oxazoles
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
Dialkylarylamines / 2,4,5-trisubstituted oxazoles / Benzene and substituted derivatives / Heteroaromatic compounds / Oxacyclic compounds / Azacyclic compounds / Alkanolamines / Primary alcohols / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Phenyl-1,3-oxazole / 2,4,5-trisubstituted 1,3-oxazole / Dialkylarylamine / Monocyclic benzene moiety / Benzenoid / Heteroaromatic compound / Oxacycle / Azacycle / Alkanolamine / Organic oxygen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 16, 2014 12:29 / Updated on November 02, 2018 06:57