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Crisdesalazine

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

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Identification

Generic Name
Crisdesalazine
DrugBank Accession Number
DB18405
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 325.287
Monoisotopic: 325.092577804
Chemical Formula
C16H14F3NO3
Synonyms
  • 2-hydroxy-5-((2-(4-(trifluoromethyl)phenyl)ethyl)amino)benzoic acid
  • Benzoic acid, 2-hydroxy-5-((2-(4-(trifluoromethyl)phenyl)ethyl)amino)-
External IDs
  • AAD 2004
  • AAD-2004
  • AAD2004
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
11VWK61J69
CAS number
927685-43-6
InChI Key
UTMVACIBQLDZLP-UHFFFAOYSA-N
InChI
InChI=1S/C16H14F3NO3/c17-16(18,19)11-3-1-10(2-4-11)7-8-20-12-5-6-14(21)13(9-12)15(22)23/h1-6,9,20-21H,7-8H2,(H,22,23)
IUPAC Name
2-hydroxy-5-({2-[4-(trifluoromethyl)phenyl]ethyl}amino)benzoic acid
SMILES
OC(=O)C1=CC(NCCC2=CC=C(C=C2)C(F)(F)F)=CC=C1O

References

General References
Not Available
ChemSpider
13170885
ZINC
ZINC000034885635

Clinical Trials

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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
logP2.77Chemaxon
pKa (Strongest Acidic)2.54Chemaxon
pKa (Strongest Basic)5.34Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area69.56 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity80.83 m3·mol-1Chemaxon
Polarizability30.08 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 21, 2023 22:15 / Updated at September 24, 2023 02:56