Donepezil hydrochloride

C₂₄H₃₀ClNO₃CAS 110119-84-1415.96 g/mol

Open in Covalent MOL file

Ether Ketone Tertiary amine

Properties

Molecular formula: C₂₄H₃₀ClNO₃
Molar mass: 415.96 g/mol
Exact mass: 415.1914 Da
logP: 4.78Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Danger

H300 Fatal if swallowed17.9% of notifiers
H301 Toxic if swallowed76.2% of notifiers
H319 Causes serious eye irritation79.8% of notifiers

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

110119-84-1

SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.Cl

InChIKey

XWAIAVWHZJNZQQ-UHFFFAOYSA-N

InChI

InChI=1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H

Weigh it out

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

Work with Donepezil 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.

Donepezil120014-06-4Free base Donepezil hydrochloride120011-70-3

Similar compounds

5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride120013-39-065 % similar 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine120014-30-462 % similar Methyl 1-benzylpiperidine-4-carboxylate10315-06-745 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-441 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-841 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-840 % similar 1-Benzylpiperidin-4-amine dihydrochloride1205-72-739 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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