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CAS 1160849-99-9

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Butanedioic acid, 2,3-bis(phenylmethoxy)-, (2S,3S)-, compd. with (αR)-α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile (1:1)

Description:
Butanedioic acid, 2,3-bis(phenylmethoxy)-, (2S,3S)-, compound with (αR)-α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile (1:1), identified by CAS number 1160849-99-9, is a complex organic compound characterized by its specific stereochemistry and functional groups. The presence of butanedioic acid suggests it has carboxylic acid functionalities, which typically confer acidic properties and the ability to form esters or amides. The compound features multiple methoxy groups, indicating potential for increased solubility and reactivity due to the electron-donating nature of these groups. The phenylmethoxy substituents contribute to the compound's aromatic character, which can influence its stability and interaction with biological systems. The stereochemical descriptors (2S,3S) and (αR) indicate specific three-dimensional arrangements of atoms, which are crucial for the compound's biological activity and interaction with receptors. Overall, this compound's intricate structure suggests potential applications in pharmaceuticals or as a biochemical probe, although specific biological activities would require further investigation.
Formula:C27H38N2O4·C18H18O6
InChI:InChI=1S/C27H38N2O4.C18H18O6/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;19-17(20)15(23-11-13-7-3-1-4-8-13)16(18(21)22)24-12-14-9-5-2-6-10-14/h9-12,17-18,20H,8,13-16H2,1-7H3;1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t27-;15-,16-/m10/s1
InChI key:InChIKey=CGFVJOHXRXXBAV-ZQQPHLDMSA-N
SMILES:[C@@H]([C@H](OCC1=CC=CC=C1)C(O)=O)(OCC2=CC=CC=C2)C(O)=O.[C@](CCCN(CCC1=CC(OC)=C(OC)C=C1)C)(C(C)C)(C#N)C2=CC(OC)=C(OC)C=C2
Synonyms:
  • Butanedioic acid, 2,3-bis(phenylmethoxy)-, (2S,3S)-, compd. with (αR)-α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile (1:1)
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