chempirical

Quinine hydrochloride

C20H25ClN2O2CAS 130-89-2360.88 g/mol

Open in Covalent MOL file
NHONOHCl
AlcoholAlkeneEtherTertiary amine

Properties

Molecular formula
C20H25ClN2O2
Molar mass
360.88 g/mol
Exact mass
360.1605 Da
Melting point
159 °C
logP
3.60Crippen estimate
Polar surface area
45.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
R, S, S, Rin SMILES atom order

Identifiers

CAS number
130-89-2
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl
InChIKey
LBSFSRMTJJPTCW-DSXUQNDKSA-N
InChI
InChI=1S/C20H24N2O2.ClH/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/t13-,14-,19-,20+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Quinine, monohydrochloride
  • Cinchonan-9-ol, 6′-methoxy-, hydrochloride (1:1), (8α,9R)-
  • Cinchonan-9-ol, 6′-methoxy-, monohydrochloride, (8α,9R)-
  • Quinine muriate
  • Chinimetten
  • Chinine hydrochloride

Work with Quinine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Quinine dihydrochloride60-93-5100 % similar Quinine hydrochloride dihydrate6119-47-795 % similar Quinine130-95-095 % similar Quinidine56-54-295 % similar Quinine bisulfate549-56-484 % similar Quinine sulfate804-63-784 % similar Quinine sulfate dihydrate6119-70-680 % similar Cinchonan-9-ol, hydrochloride (1:?), (9S)-24302-67-872 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook