Dihydroquinine

C₂₀H₂₆N₂O₂CAS 522-66-7326.44 g/mol

Open in Covalent MOL file

Alcohol Ether Tertiary amine

Properties

Molecular formula: C₂₀H₂₆N₂O₂
Molar mass: 326.44 g/mol
Exact mass: 326.1994 Da
Melting point: 172.5 °C
logP: 3.40Crippen 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

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

522-66-7

SMILES

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12

InChIKey

LJOQGZACKSYWCH-WZBLMQSHSA-N

InChI

InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1

Weigh it out

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

Names and synonyms

8 names

Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, (8α,9R)-
Hydroquinine
(8α,9R)-10,11-Dihydro-6′-methoxycinchonan-9-ol
10,11-Dihydroquinine
(-)-Dihydroquinine
(-)-10,11-Dihydroquinine
NSC 41799
(-)-Hydroquinine

Work with Dihydroquinine

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.

Dihydroquinidine1435-55-8Diastereomer

Similar compounds

Quinine130-95-073 % similar Quinidine56-54-273 % similar Quinine hydrochloride130-89-270 % similar (-)-Quinine dihydrochloride60-93-570 % similar 1,4-Bis(dihydroquinidine)phthalazine140853-10-769 % similar (Dhq)2phal140924-50-169 % similar Quinine hydrochloride dihydrate6119-47-767 % similar Quinidine sulfate50-54-465 % similar

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

Same formula

Ajmaline4360-12-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia