Quinate
CAS Registry Number®
7054-25-3
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CAS Name
QuinateMolecular Formula
C20H24N2O2.C6H12O7Cite this Page
Quinate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=7054-25-3 (retrieved ) (CAS RN: 7054-25-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
175-176.5 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C20H24N2O2.C6H12O7/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;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)/t13-,14-,19+,20-;2-,3-,4+,5-/m01/s1
InChIKey
InChIKey=XHKUDCCTVQUHJQ-LCYSNFERSA-N
SMILES
[C@H]([C@@H]([C@@H](CO)O)O)([C@H](C(O)=O)O)O.[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
O=C(O)C(O)C(O)C(O)C(O)CO.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4
Other Names for this Substance
- D-Gluconic acid, compd. with (9S)-6′-methoxycinchonan-9-ol (1:1)
- Gluconic acid, D-, compd. with quinidine (1:1)
- Quinidine gluconate
- Quinidine, mono-D-gluconate (salt)
- Cinchonan-9-ol, 6′-methoxy-, (9S)-, mono-D-gluconate (salt)
Deleted or Replaced CAS Registry Numbers
11000-07-0, 11039-93-3, 29662-89-3, 29826-49-1
