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CAS 64228-78-0

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2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 2,2′-(1,5-pentanediyl) ester, ethanedioate (1:2)

Description:
2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 2,2′-(1,5-pentanediyl) ester, ethanedioate (1:2), with CAS number 64228-78-0, is a complex organic compound characterized by its unique structural features. It contains an isoquinoline core, which is a bicyclic structure known for its presence in various natural products and pharmaceuticals. The compound also includes multiple methoxy groups, which can enhance its solubility and influence its biological activity. The presence of the pentanediyl ester linkage suggests potential for forming larger molecular assemblies or interacting with biological targets. Additionally, the ethanedioate component indicates that the compound may exhibit properties related to carboxylic acids, such as acidity and reactivity. Overall, this compound's intricate structure may contribute to diverse pharmacological properties, making it of interest in medicinal chemistry and drug development. However, specific biological activities and applications would require further investigation through empirical studies.
Formula:C51H66N2O12·2C2H2O4
InChI:InChI=1S/C51H66N2O12.C2H2O4/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;3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;(H,3,4)(H,5,6)
InChI key:InChIKey=CTRHJROIKMLEGA-UHFFFAOYSA-N
SMILES:C(C1C=2C(=CC(OC)=C(OC)C2)CCN1CCC(OCCCCCOC(CCN3C(CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C6=CC(OC)=C(OC)C=C6.C(C(O)=O)(O)=O
Synonyms:
  • 2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 1,5-pentanediyl ester, ethanedioate (1:2)
  • 2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 2,2′-(1,5-pentanediyl) ester, ethanedioate (1:2)
  • Atracurium Oxalate
  • pentane-1,5-diyl bis{3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]propanoate} diethanedioate
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