Quinine hydrochloride

C₂₀H₂₅ClN₂O₂CAS 130-89-2360.88 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether Tertiary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: R, S, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed> 99.9% of notifiers
H312 Harmful in contact with skin91.3% of notifiers
H332 Harmful if inhaled91.3% of notifiers

Aggregated from 1,410 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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

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.

Quinine hydrochloride dihydrate6119-47-7Hydrate Quinine130-95-0Free base Quinidine56-54-2Free base, diastereomer Quinidine sulfate50-54-4Salt, diastereomer Quinine sulfate804-63-7Salt (-)-Quinine dihydrochloride60-93-5Salt Quinine bisulfate549-56-4Salt Quinine sulfate dihydrate6119-70-6Salt 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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