AG000Q3M

120014-07-5 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-

AG000Q3M

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CAS Number	120014-07-5
Catalog Number	AG000Q3M(AGN-PC-0PE4EX)
Chemical Name	1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-
EC Number	601-652-4
IUPAC Name	(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
InChI	InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
InChI Key	LPMOTUSFDTTWJL-UDWIEESQSA-N
MDL Number	MFCD08693144
Molecular Formula	C24H27NO3
Molecular Weight	377.4761
SMILES	O=C1/C(CC2=C1C=C(OC)C(OC)=C2)=C/C3CCN(CC4=CC=CC=C4)CC3
UNII	1D3K90DIY3
Synonyms	120014-07-5, 2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one, 1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)piperidine, Donepezil related compound A, UNII-1D3K90DIY3, 1D3K90DIY3, CHEMBL168938, (E)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one, 145546-80-1, (2E)-Dehydrodonepezil, (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one, C24H27NO3, 2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-ylidene]-5,6-dimethoxy-indan-1-one, (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methylene)-, (2E)-, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2E)-, AK-32972, 2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (E)-, ZINC597028, BCP28366, (1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)piperidine), BDBM50280646, MFCD08693144, Donepezil related compound a- [USP], AKOS000277341, CS-W006058, DS-0813, AC-26327, AJ-23642, BR-32972, Donepezil related compound (E/Z mixture), Q334, SC-44277, AB0017525, AX8017747, 4CH-009491, ST24027402, S-2856, 014B075, I14-0805, 1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemet, 2-[(1-Benzyl-4-piperidyl)methyleen]-5,6-dimethoxyindan-1-on, 2-[(1-Benzyl-4-piperidyl)methylene]-5,6-dimethoxy-1-indanone, (E)-2-(1-Benzyl-4-piperidylmethylene)-5,6-dimethoxy-1-indanone, 2-[(1-Benzylpiperidine-4-yl)methylene]-5,6-dimethoxyindan-1-one, (E)-2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, 2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydroinden-1-one, DZ7, CID10762160, A2502, 2-[ - METHYLIDENE]-5,6-DIMETHOXY-1-INDANONE, (2Z)-2-[(1-benzyl-4-piperidyl)methylidene]-5,6-dimethoxy-3H-inden-1-one, 1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-,

Complexity	560
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	377.199g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	377.484g/mol
Monoisotopic Mass	377.199g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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