CAS Registry Number®
6119-70-6
CAS Name
Quinine sulfate dihydrate
Molecular Formula
C20H24N2O2.1/2H2O4S.2H2O
Other Names and Identifiers
InChI
InChI=1S/C20H24N2O2.H2O4S.H2O/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;1-5(2,3)4;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);1H2/t13-,14-,19-,20+;;/m0../s1
InChIKey
InChIKey=ZYCWGZVLCXRARB-HZQSTTLBSA-N
SMILES
[C@@H](O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@]3([N@@]4C[C@H](C=C)[C@H](C3)CC4)[H].S(=O)(=O)(O)O.O
Canonical SMILES
O=S(=O)(O)O.O.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)-, sulfate, hydrate (2:1:4)
- Quinine, sulfate (2:1), dihydrate
- Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate (2:1) (salt), dihydrate
- Quinine sulfate dihydrate
Deleted or Replaced CAS Registry Numbers
60411-27-0
