CAS 85409-48-9

Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, disodium salt

Description:

The chemical substance known as Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, disodium salt, with CAS number 85409-48-9, is a complex organic compound characterized by its unique structural features. It contains multiple functional groups, including carboxymethyl groups and hydroxyl groups, which contribute to its solubility and reactivity. The presence of the isobenzofuran moiety suggests potential applications in medicinal chemistry, particularly due to its ability to interact with biological systems. As a disodium salt, it is likely to exhibit enhanced solubility in aqueous environments, making it suitable for various biochemical applications. The compound may also demonstrate interesting properties such as chelation and antioxidant activity, which are common in compounds with similar structural motifs. Overall, its intricate structure and functional diversity position it as a potentially valuable substance in research and industrial applications, particularly in fields related to pharmaceuticals and biochemistry.

Formula: C₃₈H₄₄N₂O₁₂·2Na

InChI: InChI=1S/C38H44N2O12.2Na/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48;;/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);;

InChI key: InChIKey=IIOMADRKSIVUJY-UHFFFAOYSA-N

SMILES: CC1=C(C2(C=3C(C(=O)O2)=CC=CC3)C4=C(C)C(CN(CC(O)=O)CC(O)=O)=C(O)C(C(C)C)=C4)C=C(C(C)C)C(O)=C1CN(CC(O)=O)CC(O)=O.[Na]

Synonyms:

• Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, disodium salt
• Thymolphthalein complexone sodium salt
• sodium 2-{(Z)-[3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl][3-{[bis(carboxymethyl)amino]methyl}-2-methyl-5-(1-methylethyl)-4-oxocyclohexa-2,5-dien-1-ylidene]methyl}benzoate