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CAS 100145-54-8

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Benzoic acid, 2-[[[2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]-, compd. with 2-aminoethanol (1:1)

Description:
The chemical substance known as "Benzoic acid, 2-[[[2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]-, compd. with 2-aminoethanol (1:1)" is a complex organic compound characterized by its structural components, which include a benzoic acid moiety and a multi-functional amino acid derivative. The presence of the isoindole structure suggests potential biological activity, as isoindoles are often found in various natural products and pharmaceuticals. This compound likely exhibits both acidic and basic properties due to the benzoic acid and aminoethanol components, respectively. Its solubility may vary depending on the pH of the solution, and it may participate in hydrogen bonding due to the hydroxymethyl and amino groups. The compound's molecular interactions could be significant in biological systems, potentially influencing its pharmacological properties. Overall, this substance may be of interest in medicinal chemistry and drug development, particularly for its potential therapeutic applications.
Formula:C21H21N3O6·C2H7NO
InChI:InChI=1S/C21H21N3O6.C2H7NO/c25-13-23(10-9-22-18(26)14-5-1-4-8-17(14)21(29)30)11-12-24-19(27)15-6-2-3-7-16(15)20(24)28;3-1-2-4/h1-8,25H,9-13H2,(H,22,26)(H,29,30);4H,1-3H2
InChI key:InChIKey=NJLMXFHUTCQDTG-UHFFFAOYSA-N
SMILES:O=C1C=2C(C(=O)N1CCN(CCNC(=O)C3=C(C(O)=O)C=CC=C3)CO)=CC=CC2.C(CO)N
Synonyms:
  • Benzoic acid, 2-[[[2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]-, compd. with 2-aminoethanol (1:1)
  • Ethanol, 2-amino-, 2-[[[2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]benzoate (salt)
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