Quinine urea hydrochloride

CAS Registry Number®

549-52-0

CAS Name

Quinine urea hydrochloride

Molecular Formula

C20H24N2O2.CH4N2O.2ClH

Cite this Page

Quinine urea hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=549-52-0 (retrieved 2024-11-26) (CAS RN: 549-52-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-190 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2.CH4N2O.ClH/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;2-1(3)4;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H4,2,3,4);1H/t13-,14-,19-,20+;;/m0../s1

InChIKey

InChIKey=VSBIHZIPRXLKFY-HZQSTTLBSA-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(N)(N)=O.Cl

Canonical SMILES

Cl.O=C(N)N.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)-, compd. with urea (1:1), dihydrochloride
  • Urea, compd. with quinine (1:1), dihydrochloride, pentahydrate
  • Quinine, compd. with urea (1:1), dihydrochloride, pentahydrate
  • Urea, compd. with (8α,9R)-6′-methoxycinchonan-9-ol (1:1), dihydrochloride
  • Quinine urea hydrochloride

Deleted or Replaced CAS Registry Numbers

6168-97-4, 898817-11-3

CAS INSIGHTSTM
Hourglass and a clock