Phenobarbital, compd. with quinine

CAS Registry Number®

880258-50-4

CAS Name

Phenobarbital, compd. with quinine

Molecular Formula

C20H24N2O2.C12H12N2O3

Cite this Page

Phenobarbital, compd. with quinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=880258-50-4 (retrieved 2024-11-22) (CAS RN: 880258-50-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2.C12H12N2O3/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;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t13-,14-,19-,20+;/m0./s1

InChIKey

InChIKey=YHRUERMOPBDCFD-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)C1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(C=2C=CC=CC2)CC.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4

Other Names for this Substance

  • Phenobarbital, compd. with quinine
  • Quinine, compd. with phenobarbital

Deleted or Replaced CAS Registry Numbers

910879-46-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration