Quinine, penicillin G salt

CAS Registry Number®

696628-37-2
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CAS Name

Quinine, penicillin G salt

Molecular Formula

C20H24N2O2.C16H18N2O4S

Cite this Page

Quinine, penicillin G salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=696628-37-2 (retrieved 2024-06-18) (CAS RN: 696628-37-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2.C16H18N2O4S/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;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t13-,14-,19-,20+;11-,12+,14-/m01/s1

InChIKey

InChIKey=XZOMVPUQYPKUQN-UZFPGZSESA-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(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CC3=CC=CC=C3)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)CC=3C=CC=CC3)C2SC1(C)C.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4

Other Names for this Substance

  • Quinine, penicillin G salt
  • Penicillin G, compd. with quinine

Deleted or Replaced CAS Registry Numbers

886027-32-3

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