Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monopentanoate (salt)

CAS Registry Number®

549-66-6

CAS Name

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monopentanoate (salt)

Molecular Formula

C20H24N2O2.C5H10O2

Molecular Mass

426.55

Cite this Page

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monopentanoate (salt).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=549-66-6 (retrieved 2025-05-11) (CAS RN: 549-66-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2.C5H10O2/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;1-2-3-4-5(6)7/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-4H2,1H3,(H,6,7)/t13-,14-,19-,20+;/m0./s1

InChIKey

InChIKey=YSJITFFVRIOVOZ-DSXUQNDKSA-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].C(C(O)=O)CCC

Canonical SMILES

O=C(O)CCCC.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)-, monopentanoate (salt)
  • Pentanoic acid, compd. with (8α,9R)-6′-methoxycinchonan-9-ol (1:1)
  • Quinine valerate

CAS INSIGHTSTM
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