AG00I55Z

272778-12-8 | 2-Oxazolidinone,3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-,(4S)-

AG00I55Z

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CAS Number	272778-12-8
Catalog Number	AG00I55Z(AGN-PC-0R32OH)
Chemical Name	2-Oxazolidinone,3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-,(4S)-
IUPAC Name	(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
InChI	InChI=1S/C39H46F2N2O5Si2/c1-49(2,3)47-33-22-14-29(15-23-33)37(42-32-20-18-31(41)19-21-32)34(24-25-36(48-50(4,5)6)28-12-16-30(40)17-13-28)38(44)43-35(26-46-39(43)45)27-10-8-7-9-11-27/h7-23,34-37,42H,24-26H2,1-6H3/t34-,35-,36+,37-/m1/s1
InChI Key	XXMINDVVBVJXLN-GOFGAPPUSA-N
MDL Number	MFCD08460200
Molecular Formula	C39H46F2N2O5Si2
Molecular Weight	716.9607
SMILES	O=C1OC[C@H](C2=CC=CC=C2)N1C([C@@H]([C@H](NC3=CC=C(F)C=C3)C4=CC=C(O[Si](C)(C)C)C=C4)CC[C@@H](C5=CC=C(F)C=C5)O[Si](C)(C)C)=O
Synonyms	272778-12-8, (S)-3-((2R,5S)-5-(4-Fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-((trimethylsilyl)oxy)phenyl)methyl)-5-((trimethylsilyl)oxy)pentanoyl)-4-phenyloxazolidin-2-one, 3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl(amino)]][4-[trimethylsilyl]-oxy]phenyl]methyl]-1-oxo-5-[(trimethylsily)-oxy]pentyl]-4-phenyl-(4S)-2-oxazolidinone, Ezetimibe Impurity 9, SCHEMBL10045761, CTK8B4241, ANW-44479, MFCD08460200, AKOS015896148, ZINC169745518, KS-00000J88, DS-17844, TC-133224, FT-0657649, ST24026580, 778O128, I06-1665, I06-2025, (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino]-(4-trimethylsilyloxyphenyl)methyl]-5-trimethylsilyloxy-pentanoyl]-4-phenyl-1,3-oxazolidin-2-one, (4S3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-2-oxazolidinone, (S)-3-((2R,5S)-5-(4-Fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-((trimethylsilyl)oxy)phenyl)methy, 2-Oxazolidinone, 3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl, 2-Oxazolidinone,3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-,(4S)-, XXMINDVVBVJXLN-GOFGAPPUSA-N, ACN-039799, CID11411498, CID 11411498, 2-Oxazolidinone, 3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-, (4S)-, (3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl-3-(trimethylsilyloxy)propyl)-4-(4-(trimethylsilyloxy)phenyl)azetidin-2-one, (4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one, 272778-13-9, 3-[ -5- -2-[ -[(4-fluorophenyl ]][4-[trimethylsilyl]-oxy]phenyl]methyl]-1-oxo-5-[ -oxy]pentyl]-4-phenyl- -2-oxazolidinone, 3-{5-(4-Fluoro-phenyl)-2-[(4-fluoro-phenylamino)-(4-trimethylsilanyloxy-phenyl)-methyl]-5-trimethylsilanyloxy-pentanoyl}-4-phenyl-oxazolidin-2-one, Ezetimibe intermediate;2-Oxazolidinone, 3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-, (4S)-,

Complexity	1080
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	716.291g/mol
Formal Charge	0
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	716.973g/mol
Monoisotopic Mass	716.291g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	77.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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