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CAS 121029-11-6

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1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-isoquinolinyl)-, [S-(R*,S*)]-

Description:
1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-isoquinolinyl)-, with CAS number 121029-11-6, is a complex organic compound characterized by its unique structural features, including an isobenzofuranone core and multiple ethoxy and methoxy substituents. This compound exhibits a chiral center, indicated by the [S-(R*,S*)] notation, suggesting it can exist in different stereoisomeric forms. The presence of the amino group enhances its potential for biological activity, making it of interest in medicinal chemistry. Its intricate structure may contribute to specific interactions with biological targets, potentially influencing its pharmacological properties. Additionally, the presence of multiple ether groups (ethoxy and methoxy) may affect its solubility and reactivity. Overall, this compound's characteristics suggest it could be explored for various applications, particularly in drug development or as a chemical probe in biological research. However, detailed studies would be necessary to fully understand its properties and potential uses.
Formula:C27H36N2O8
InChI:InChI=1S/C27H36N2O8/c1-8-34-24-18-17(19(28)25(35-9-2)26(24)36-10-3)27(30)37-22(18)20-16-14(11-12-29(20)4)13-15(31-5)21(32-6)23(16)33-7/h13,20,22H,8-12,28H2,1-7H3/t20-,22+/m1/s1
InChI key:InChIKey=FPSZSEINEGCRIJ-IRLDBZIGSA-N
SMILES:O(CC)C1=C2[C@](OC(=O)C2=C(N)C(OCC)=C1OCC)([C@]3(C=4C(=CC(OC)=C(OC)C4OC)CCN3C)[H])[H]
Synonyms:
  • Altoqualine [INN]
  • (3S)-7-Amino-4,5,6-triethoxy-2-methyl-1-isoquinoly)phthalide
  • 1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-isoquinolinyl)-, [S-(R*,S*)]-
  • UNII-56G228IW9Q
  • (3S)-7-amino-4,5,6-triethoxy-3-[(1R)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-benzofuran-1(3H)-one
  • (3S)-7-Amino-4,5,6-triethoxy-3-((1R)-1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-isoquinolyl)phthalide
  • Altoqualine
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