Dihydroquinidine

C₂₀H₂₆N₂O₂CAS 1435-55-8326.44 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: 168.5 °C
logP: 3.40Crippen estimate
Polar surface area: 45.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: R, S, R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin92.9% of notifiers
H332 Harmful if inhaled92.9% of notifiers

Aggregated from 42 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

1435-55-8

SMILES

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

InChIKey

LJOQGZACKSYWCH-LHHVKLHASA-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

6 names

Cinchonan-9-ol, 10,11-dihydro-6′-methoxy-, (9S)-
Hydroquinidine
(9S)-10,11-Dihydro-6′-methoxycinchonan-9-ol
Hydroconquinine
10,11-Dihydroquinidine
(+)-Hydroquinidine

Work with Dihydroquinidine

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.

Dihydroquinine522-66-7Diastereomer

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