CAS 104832-01-1

Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1)

Description:

Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, in complex with (1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline, is a chemical compound characterized by its intricate structure and specific stereochemistry. The butanedioic acid component features two benzoyloxy groups, which enhance its reactivity and solubility in organic solvents. The isoquinoline derivative contributes to the compound's potential biological activity, as isoquinolines are known for their diverse pharmacological properties. The presence of multiple methoxy groups in the isoquinoline structure may influence the compound's electronic properties and interactions with biological targets. This compound is likely to exhibit unique characteristics such as specific melting and boiling points, solubility profiles, and reactivity patterns, making it of interest in medicinal chemistry and drug development. Its complex nature suggests potential applications in pharmaceuticals, particularly in the development of therapeutic agents targeting various diseases. However, detailed studies would be required to fully elucidate its properties and potential uses.

Formula: C₂₂H₂₉NO₅·C₁₈H₁₄O₈

InChI: InChI=1S/C22H29NO5.C18H14O8/c1-23-8-7-15-12-18(24-2)19(25-3)13-16(15)17(23)9-14-10-20(26-4)22(28-6)21(11-14)27-5;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h10-13,17H,7-9H2,1-6H3;1-10,13-14H,(H,19,20)(H,21,22)/t17-;13-,14-/m11/s1

InChI key: InChIKey=LBGVOKZBYXHODD-YVGNGXOTSA-N

SMILES: C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CCN1C)C3=CC(OC)=C(OC)C(OC)=C3.[C@H]([C@@H](OC(=O)C1=CC=CC=C1)C(O)=O)(OC(=O)C2=CC=CC=C2)C(O)=O

Synonyms:

• Butanedioic acid, 2,3-bis(benzoyloxy)-, [R-(R*,R*)]-, compd. with (R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1)
• (R)-(-)-5′-Methoxylaudanosine (-)-dibenzoyltartarate
• Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1)
• Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, (R)-, [R-(R*,R*)]-2,3-bis(benzoyloxy)butanedioate (1:1)