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Quinine

CAS Registry Number®

130-95-0

CAS Name

Quinine

Molecular Formula

C20H24N2O2

Molecular Mass

324.42

Cite this Page

Quinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130-95-0 (retrieved 2024-11-23) (CAS RN: 130-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1

InChIKey

InChIKey=LOUPRKONTZGTKE-WZBLMQSHSA-N

SMILES

[C@@H](O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-
  • Quinine
  • (8α,9R)-6′-Methoxycinchonan-9-ol
  • 6′-Methoxycinchonidine
  • (-)-Quinine

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Deleted or Replaced CAS Registry Numbers

6912-57-8, 12239-42-8, 21480-31-9, 55980-20-6, 72646-90-3, 95650-40-1, 128544-03-6, 767303-40-2, 840482-04-4, 857212-53-4, 864908-93-0, 875538-34-4, 888714-03-2, 890027-24-4, 894767-09-0, 898813-59-7, 898814-28-3, 899813-83-3, 900786-66-5, 900789-95-9, 906550-97-8, 909263-47-4, 909767-48-2, 909882-78-6, 910878-25-0, 910880-97-6, 911445-75-5, 918778-04-8, 1071756-51-8, 1267651-57-9, 1628705-47-4, 2244812-93-7, 2244812-97-1, 2409557-51-1, 2566761-34-8, 2929261-86-7, 3032276-91-5

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