Tucaresol

HCID 55223

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 84290-27-7
Standard SMILES: O=Cc1c(O)cccc1OCc1ccc(C(=O)O)cc1
InChIKey: XEDONBRPTABQFB-UHFFFAOYSA-N
Molecular formula: C15H12O5
Average molar mass: 272.25 g/mol
Monoisotopic mass: 272.06847348

Overview

Tucaresol has been used in trials studying the treatment of HIV Infections.

Names & identifiers

Preferred name: Tucaresol
IUPAC: 4-[(2-formyl-3-hydroxyphenoxy)methyl]benzoic acid
English name: tucaresol
Molecular formula: C15H12O5
Molecular weight: 272.25

Names & synonyms

TUCARESOL84290-27-74-[(2-formyl-3-hydroxyphenoxy)methyl]benzoic acid4-((2-Formyl-3-hydroxyphenoxy)methyl)benzoic acid589CBW A589CJH368G5B9MBW-589CBenzoic acid, 4-[(2-formyl-3-hydroxyphenoxy)methyl]-BWA 589C589-CDTXSID70233247

Show more names

4-[(2-FORMYL-3-HYDROXYPHENOXY)METHYL]-BENZOIC ACIDBenzoic acid,4-[(2-formyl-3-hydroxyphenoxy)methyl]-

4-(2-formyl-3-hydroxyphenoxymethyl)benzoic acidBenzoic acid, 4-((2-formyl-3-hydroxyphenoxy)methyl)-tucaresolumBW-A589CRefChem:192473BWA589CBWA-589CDTXCID70155738

Database identifiers

CAS: 84290-27-7
PubChem CID: 55223
DTXSID: DTXSID70233247
ChEMBL: CHEMBL2104482
UNII: JH368G5B9M
Nikkaji: J540.238G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 335

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Boiling point: 495 · 495.0±40.0 °C(Predicted)
Density: 1.383 · 1.383±0.06 g/cm3(Predicted)
pka: 4.17 · 4.17±0.10(Predicted)
form: Solid
color: Off-white to light yellow
FDA UNII: 368 G5B9M · JH368G5B9M
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Applications

UsesTucaresol is an orally bioavailable immunopotentiatory drug that show to enhance T-helper-cell activity, with the induction of increased IL-2 and IFN-γ levels in mice and humans. Tucaresol has anti-HIV effect[1].