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CAS 1870821-30-9

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Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, compd. with (4S)-4-(3-bromophenyl)-6,8-dichloro-1,2,3,4-tetrahydro-2-methylisoquinoline (1:1)

Description:
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, compd. with (4S)-4-(3-bromophenyl)-6,8-dichloro-1,2,3,4-tetrahydro-2-methylisoquinoline (1:1) is a complex organic compound characterized by its specific stereochemistry and functional groups. The butanedioic acid moiety features two benzoyloxy substituents, which enhance its lipophilicity and may influence its biological activity. The isoquinoline derivative contributes to the compound's pharmacological properties, potentially offering interactions with biological targets due to the presence of halogen atoms and a chiral center. This compound may exhibit properties such as solubility in organic solvents, moderate stability under standard conditions, and potential reactivity due to the presence of functional groups. Its unique structure suggests possible applications in medicinal chemistry, particularly in the development of therapeutic agents. However, detailed studies would be necessary to elucidate its specific biological activities, toxicity, and potential applications in various fields.
Formula:C18H14O8·C16H14BrCl2N
InChI:InChI=1S/C18H14O8.C16H14BrCl2N/c19-15(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;1-20-8-14(10-3-2-4-11(17)5-10)13-6-12(18)7-16(19)15(13)9-20/h1-10,13-14H,(H,19,20)(H,21,22);2-7,14H,8-9H2,1H3/t13-,14-;14-/m00/s1
InChI key:InChIKey=JIIPEQIGUADDNR-NDJQFVNWSA-N
SMILES:CN1C[C@H](C=2C(C1)=C(Cl)C=C(Cl)C2)C3=CC(Br)=CC=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)-, (2S,3S)-, compd. with (4S)-4-(3-bromophenyl)-6,8-dichloro-1,2,3,4-tetrahydro-2-methylisoquinoline (1:1)
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