AG003669

446292-08-6 | 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione

AG003669

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CAS Number	446292-08-6
Catalog Number	AG003669(AGN-PC-0RT5J0)
Chemical Name	2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione
EC Number	610-201-0
IUPAC Name	2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
InChI	InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1
InChI Key	KUQNYAUTIWQAKY-MRXNPFEDSA-N
MDL Number	MFCD11977665
Molecular Formula	C22H19N3O6
Molecular Weight	421.4028
SMILES	O=C1O[C@H](CN1C1=CC=C(C=C1)N1C(COCC1)=O)CN1C(C2=CC=CC=C2C1=O)=O
Synonyms	446292-08-6, (S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione, 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione, Rivaroxaban Impurity 9, 2-({(5S)-2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-, KUQNYAUTIWQAKY-MRXNPFEDSA-N, 2-([(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione, 2-({(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione, AK-87266, SCHEMBL78772, ISO027, CTK8B6331, DTXSID10470679, BCP26424, CS-M0563, ANW-53296, MFCD11977665, ZINC38253714, 4-[4-[(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone, AKOS015999673, KS-00000Q16, 2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione, AC-25868, ACM446292086, AJ-94822, DS-18301, AX8231142, TC-142041, FT-0673880, ST24020797, (S)-2 ((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione, (S)-2((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione, (S)-2-((2-oxo-3-(4-(3-oxo-morpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione, (S)-2-((2-oxo-3-(4-(3-oxomorpholino) phenyl) oxazolidin-5-yl)methyl)isoindoline-1,3-dione, (S)-2-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione, 2-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1, 3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione, ACN-048323, CID11690317, EC 610-201-0, 1H-Isoindole-1,3(2H)-dione, 2-[[(5S)-2-oxo-3-[4- ..., 2-(((5S)-2-Oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-1,3-oxazolidin-5-yl)methyl)-lh isoindole-1,3(2H)-dione, 2-(((5S)-2-Oxo-3-(4-(3-oxomorpholin-4-yl)phenyl)-1,3-oxazolidin-5-yl)methyl)-1H-isoindole-1,3(2H)-dione,

Complexity	740
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	421.127g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	421.409g/mol
Monoisotopic Mass	421.127g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	96.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number