![Quinine hydrochloride dihydrate[盐酸奎宁二水合物]](https://newcny.com/wp-content/uploads/2024/07/6119-47-7.svg)
CAS Registry Number®
6119-47-7
CAS Name
Quinine hydrochloride dihydrate
Molecular Formula
C20H24N2O2.ClH.2H2O
Other Names and Identifiers
InChI
InChI=1S/C20H24N2O2.ClH.2H2O/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;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0…/s1
InChIKey
InChIKey=MPQKYZPYCSTMEI-FLZPLBAKSA-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].Cl.O
Canonical SMILES
Cl.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-, hydrochloride, hydrate (1:1:2), (8α,9R)-
- Cinchonan-9-ol, 6′-methoxy-, monohydrochloride, dihydrate, (8α,9R)-
- Quinine hydrochloride dihydrate
