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CAS 113216-88-9

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Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, 9-(4-chlorobenzoate), (8α,9R)-

Description:
Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, 9-(4-chlorobenzoate), (8α,9R)- is a chemical compound that belongs to the class of cinchona alkaloids, which are derived from the bark of the cinchona tree. This compound features a complex structure characterized by a bicyclic framework, which includes a quinoline moiety and various functional groups such as a methoxy group and a chlorobenzoate ester. The presence of the 4-chlorobenzoate moiety contributes to its potential biological activity, as modifications in the aromatic region can influence pharmacological properties. The stereochemistry indicated by (8α,9R) suggests specific spatial arrangements of atoms that can affect the compound's interactions with biological targets. This compound may exhibit properties such as analgesic, antimalarial, or antipyretic activities, typical of many cinchona derivatives. Its solubility, stability, and reactivity can vary based on the functional groups present, making it a subject of interest in medicinal chemistry and drug development.
Formula:C27H29ClN2O3
InChI:InChI=1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19-,25-,26+/m0/s1
InChI key:InChIKey=TXVNNFDXQZFMBQ-MFQNCIFPSA-N
SMILES:[C@H](OC(=O)C1=CC=C(Cl)C=C1)([C@]2([N@@]3C[C@H](CC)[C@](C2)(CC3)[H])[H])C=4C5=C(C=CC(OC)=C5)N=CC4
Synonyms:
  • Hydroquinine 4-chlorobenzoate
  • Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, 9-(4-chlorobenzoate), (8α,9R)-
  • 10,11-Dihydroquinine p-chlorobenzoate
  • Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, 4-chlorobenzoate (ester), (8α,9R)-
  • Hydroquinine p-chlorobenzoate
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