Benzoylquinine

CAS Registry Number®

69758-70-9

CAS Name

Benzoylquinine

Molecular Formula

C27H28N2O3

Molecular Mass

428.52

Cite this Page

Benzoylquinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69758-70-9 (retrieved 2024-11-25) (CAS RN: 69758-70-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28N2O3/c1-3-18-17-29-14-12-20(18)15-25(29)26(32-27(30)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(31-2)16-23(22)24/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3/t18-,20-,25-,26+/m0/s1

InChIKey

InChIKey=UOXLNYIYPISSFF-KBCVXPAYSA-N

SMILES

[C@H](OC(=O)C1=CC=CC=C1)([C@]2([N@@]3C[C@H](C=C)[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(C=C)C4)C=5C=CC=CC5

Other Names for this Substance

  • Cinchonan-9-ol, 6′-methoxy-, 9-benzoate, (8α,9R)-
  • Cinchonan-9-ol, 6′-methoxy-, benzoate (ester), (8α,9R)-
  • Quinine, benzoate (ester)
  • Quinine benzoate
  • Benzoylquinine

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Deleted or Replaced CAS Registry Numbers

2070902-87-1, 2244813-11-2

CAS INSIGHTSTM
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