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

CAS Registry Number®

113216-88-9

CAS Name

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

Molecular Formula

C27H29ClN2O3

Molecular Mass

464.98

Cite this Page

Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, 9-(4-chlorobenzoate), (8α,9R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113216-88-9 (retrieved 2024-11-25) (CAS RN: 113216-88-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

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

Canonical SMILES

O=C(OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C4)CC)C5=CC=C(Cl)C=C5

Other Names for this Substance

  • Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, 9-(4-chlorobenzoate), (8α,9R)-
  • Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, 4-chlorobenzoate (ester), (8α,9R)-
  • 10,11-Dihydroquinine p-chlorobenzoate
  • Hydroquinine p-chlorobenzoate
  • Hydroquinine 4-chlorobenzoate

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Deleted or Replaced CAS Registry Numbers

352525-20-3

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