AG000Q2L

120013-84-5 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-oxido-1-(phenylmethyl)-4-piperidinyl]methyl]-

AG000Q2L

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CAS Number	120013-84-5
Catalog Number	AG000Q2L(AGN-PC-05J35X)
Chemical Name	1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-oxido-1-(phenylmethyl)-4-piperidinyl]methyl]-
IUPAC Name	2-[(1-benzyl-1-oxidopiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
InChI	InChI=1S/C24H29NO4/c1-28-22-14-19-13-20(24(26)21(19)15-23(22)29-2)12-17-8-10-25(27,11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
InChI Key	XRPRYHONRUINMG-UHFFFAOYSA-N
MDL Number	MFCD09840518
Molecular Formula	C24H29NO4
Molecular Weight	395.4914
SMILES	O=C1C(CC2CC[N+](CC3=CC=CC=C3)([O-])CC2)CC4=C1C=C(OC)C(OC)=C4
Synonyms	rac (cis/trans) Donepezil N-Oxide, Donepezil N-Oxide, 120013-84-5, Donepezil N-oxide, cis-, Donepezil N-oxide, trans-, UNII-E928P2KJ7Y, UNII-C870X5D93I, Donepezil (metabolite M6 (cis)), Donepezil (metabolite M6 (trans)), E928P2KJ7Y, SCHEMBL1933861, CTK8E8804, DTXSID10458179, C870X5D93I, AKOS030255768, 147427-77-8, 147427-78-9, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-, N-oxide, cis-(+/-)-, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-, N-oxide, trans-(+/-)-, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((cis-1-oxido-1-(phenylmethyl)-4-piperidinyl)methyl)-, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((trans-1-oxido-1-(phenylmethyl)-4-piperidinyl)methyl)-, RT-015341, FT-0667769, J3.530.195J, J-004240, UNII-X070Q7TQO8 component XRPRYHONRUINMG-HHPMYQBMSA-N, UNII-X070Q7TQO8 component XRPRYHONRUINMG-ZGSIEPOUSA-N, 1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylmethyl)piperidine 1-oxide, 1-Benzyl-4-((5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)piperidine 1-oxide, 2-[(1-benzyl-1-oxidopiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-oxido-1-(phenylmethyl)-4-piperidinyl]methyl]-, Donepezil (metabolite m6), UNII-X070Q7TQO8, CS-O-07802, CID11188628, CID 11188628, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-oxido-1-(phenylmethyl)-4-piperidinyl)methyl)-,

Complexity	553
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	395.21g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	395.499g/mol
Monoisotopic Mass	395.21g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	53.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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