Cinchonidine

C₁₉H₂₂N₂OCAS 485-71-2294.40 g/mol

Open in Covalent MOL file

Alcohol Alkene Tertiary amine

Properties

Molecular formula: C₁₉H₂₂N₂O
Molar mass: 294.40 g/mol
Exact mass: 294.1732 Da
Density: 1.22 g/mL
Melting point: 210.5 °C
logP: 3.16Crippen estimate
Polar surface area: 36.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: R, S, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed81.5% of notifiers
H317 May cause an allergic skin reaction67.7% of notifiers
H361 Suspected of damaging fertility or the unborn child60% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure60% of notifiers

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

485-71-2

SMILES

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12

InChIKey

KMPWYEUPVWOPIM-KODHJQJWSA-N

InChI

InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1

Weigh it out

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

Names and synonyms

7 names

Cinchonan-9-ol, (8α,9R)-
(8α,9R)-Cinchonan-9-ol
α-Quinidine
(-)-Cinchonidine
(8S,9R)-Cinchonidine
Cinchovatine
NSC 5364

Work with Cinchonidine

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.

Cinchonine118-10-5Diastereomer Cinchonidine sulfate524-61-8Salt Cinchonine hydrochloride24302-67-8Salt, diastereomer Cinchonine sulfate5949-16-6Salt, diastereomer

Similar compounds

Quinine130-95-071 % similar Quinidine56-54-271 % similar Quinine hydrochloride130-89-268 % similar (-)-Quinine dihydrochloride60-93-568 % similar Quinine hydrochloride dihydrate6119-47-765 % similar Quinidine sulfate50-54-463 % similar Quinine bisulfate549-56-463 % similar Quinine sulfate804-63-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(16S,19Z)-Sarpagan-17-ol1358-75-4 (-)-Eburnamonine4880-88-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia