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CAS 1160221-26-0

:

3-[6-[[[1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methylpyridin-2-yl]benzoic acid hydrochloride

Description:
The chemical substance known as 3-[6-[[[1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methylpyridin-2-yl]benzoic acid hydrochloride is a complex organic compound characterized by its multi-ring structure and the presence of various functional groups. It features a benzoic acid moiety, which contributes to its acidic properties, and a pyridine ring that may influence its biological activity and solubility. The presence of a cyclopropyl group and a difluorobenzo[d][1,3]dioxole indicates potential for unique interactions in biological systems, possibly enhancing its pharmacological profile. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, which is advantageous for formulation in pharmaceutical applications. The compound's specific stereochemistry and electronic properties may also play a significant role in its reactivity and interactions with biological targets. Overall, this substance is of interest in medicinal chemistry, particularly for its potential therapeutic applications.
Formula:C24H18F2N2O5·ClH
InChI:InChI=1S/C24H18F2N2O5.ClH/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17;/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31);1H
InChI key:InChIKey=YNVODGKBKZCGGN-UHFFFAOYSA-N
SMILES:C(NC=1N=C(C(C)=CC1)C2=CC(C(O)=O)=CC=C2)(=O)C3(CC3)C=4C=C5C(=CC4)OC(F)(F)O5.Cl
Synonyms:
  • Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]-, hydrochloride (1:1)
  • 3-[6-[[[1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methylpyridin-2-yl]benzoic acid hydrochloride
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