Quinate[奎宁酸]

Quinate[奎宁酸]

CAS:7054-25-3

SKU： NCC.7054.25.3 分类：
保证安全结账

CAS Registry Number®

7054-25-3

CAS Name

Quinate

Molecular Formula

C20H24N2O2.C6H12O7

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)
  • Quinaglute
  • Dura-Tab
  • Gluquinate
  • Quinate
  • Duraquin

Deleted or Replaced CAS Registry Numbers

11000-07-0, 11039-93-3, 29662-89-3, 29826-49-1

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