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CAS 100063-61-4

:

2-[[[2-[[2-[[2-[[(2-Hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]benzoic acid

Description:
The chemical substance known as 2-[[[2-[[2-[[2-[[(2-Hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]benzoic acid, with the CAS number 100063-61-4, is a complex organic compound characterized by multiple functional groups, including amino, hydroxyl, and carboxylic acid moieties. This structure suggests it may exhibit properties such as solubility in polar solvents and potential for hydrogen bonding, which can influence its reactivity and interaction with biological systems. The presence of the hydroxyethyl and hydroxymethyl groups indicates that it may have applications in biochemistry, possibly as a pharmaceutical agent or in drug design, due to its ability to form stable interactions with biological targets. Additionally, the compound's multiple amine and carboxylic acid functionalities suggest it could act as a zwitterion under certain pH conditions, affecting its behavior in solution. Overall, this compound's intricate structure and functional diversity make it a subject of interest in medicinal chemistry and related fields.
Formula:C23H28N4O7
InChI:InChI=1S/C23H28N4O7/c28-14-11-26-21(31)17-6-2-1-5-16(17)20(30)24-9-12-27(15-29)13-10-25-22(32)18-7-3-4-8-19(18)23(33)34/h1-8,28-29H,9-15H2,(H,24,30)(H,25,32)(H,26,31)(H,33,34)
InChI key:InChIKey=RAZAKZXSZQNECO-UHFFFAOYSA-N
SMILES:C(NCCN(CCNC(=O)C1=C(C(O)=O)C=CC=C1)CO)(=O)C2=C(C(NCCO)=O)C=CC=C2
Synonyms:
  • Benzoic acid, 2-[[[2-[[2-[[2-[[(2-hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]-
  • 2-[[[2-[[2-[[2-[[(2-Hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]benzoic acid
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