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CAS 96687-52-4

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(1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate

Description:
The chemical substance known as "(1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate" with CAS number 96687-52-4 is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as dioxo and dioxalate moieties. This compound features a bis-isoquindoline framework, indicating the presence of two isoquindoline units that are likely linked by a dioxatridecamethylene chain. The presence of methoxy groups suggests potential for increased solubility and reactivity, while the stereochemistry indicated by the (1R,1'R) configuration implies specific spatial arrangements that can influence its biological activity and interaction with other molecules. Such compounds may exhibit interesting pharmacological properties, making them subjects of interest in medicinal chemistry and drug development. However, detailed studies would be necessary to elucidate its specific properties, reactivity, and potential applications in various fields.
Formula:C51H66N2O12(C2H2O4)
InChI:InChI=1S/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6)/t40-,41-;;/m1../s1
InChI key:NGJVDNJEQWIMBU-DBGKOQSZSA-N
SMILES:COC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Synonyms:
  • (R*,R*)-(-)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoic acid 1,5-pentanediyl ester ethanedioate (1:2)
  • (1R,1'R)-2,2'-(3,11-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline) dioxalate
  • Cis-atracurium Oxalate
  • R-Condensate Oxalic Acid
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