(-)-Quinine dihydrochloride

C20H26Cl2N2O2CAS 60-93-5397.34 g/mol

Open in Covalent MOL file
NHONOHClHCl
AlcoholAlkeneEtherTertiary amine

Properties

Molecular formula
C20H26Cl2N2O2
Molar mass
397.34 g/mol
Exact mass
396.1371 Da
logP
4.02Crippen estimate
Polar surface area
45.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
R, S, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
60-93-5
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl.Cl
InChIKey
NNKXWRRDHYTHFP-HZQSTTLBSA-N
InChI
InChI=1S/C20H24N2O2.2ClH/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;2*1H/t13-,14-,19-,20+;;/m0../s1

Weigh it out

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

Names and synonyms

5 names
  • Cinchonan-9-ol, 6′-methoxy-, hydrochloride (1:2), (8α,9R)-
  • Quinine, dihydrochloride
  • Cinchonan-9-ol, 6′-methoxy-, dihydrochloride, (8α,9R)-
  • Acid quinine hydrochloride
  • Quinine bimuriate

Work with (-)-Quinine dihydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Quinine130-95-0Free base Quinidine56-54-2Free base, diastereomer Quinidine sulfate50-54-4Salt, diastereomer Quinine sulfate804-63-7Salt Quinine hydrochloride130-89-2Salt Quinine bisulfate549-56-4Salt Quinine sulfate dihydrate6119-70-6Salt Quinine hydrochloride dihydrate6119-47-7Salt Quinidine sulfate dihydrate6591-63-5Salt, diastereomer

Similar compounds

Cinchonine hydrochloride24302-67-872 % similar Dihydroquinidine1435-55-870 % similar Dihydroquinine522-66-770 % similar Cinchonine118-10-568 % similar Cinchonidine485-71-268 % similar Cinchonidine sulfate524-61-860 % similar Cinchonine sulfate5949-16-660 % similar 1,4-Bis(dihydroquinidine)phthalazine140853-10-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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