CAS 120013-56-1 | 1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]- | CAS Number 120013-56-1

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120013-56-1 | 1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-

CAS No: 120013-56-1 Catalog No: AG000Q2O MDL No:

Product Description

Catalog Number:

AG000Q2O

Chemical Name:

1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-

CAS Number:

120013-56-1

Molecular Formula:

C23H27NO3

Molecular Weight:

365.4654

IUPAC Name:

2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-5-methoxy-2,3-dihydroinden-1-one

InChI:

InChI=1S/C23H27NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3

InChI Key:

DJRBBQJREIMIEU-UHFFFAOYSA-N

SMILES:

COc1cc2CC(C(=O)c2cc1O)CC1CCN(CC1)Cc1ccccc1

Properties

Complexity:

496

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

365.199g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

365.473g/mol

Monoisotopic Mass:

365.199g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
ESI-MS/MS stability-indicating bioanalytical method development and validation for simultaneous estimation of donepezil, 5-desmethyl donepezil and 6-desmethyl donepezil in human plasma.	Biomedical chromatography : BMC 20120501
A rapid and sensitive LC-MS/MS method for quantification of donepezil and its active metabolite, 6-o-desmethyl donepezil in human plasma and its pharmacokinetic application.	Biomedical chromatography : BMC 20110801
Quantitation of donepezil and its active metabolite 6-O-desmethyl donepezil in human plasma by a selective and sensitive liquid chromatography-tandem mass spectrometric method.	Analytica chimica acta 20081123