Sanpra Synthesis

CAS 272778-12-8

Chemistry, 2 End Use API, 24 Related Intermediates

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Also known as: 272778-12-8, Ezetimibe impurity 9, (4s)-3-[(2r,5s)-2-[(s)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-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, (4s3-[(2r,5s)-5-(4-fluorophenyl)-2-[(s)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl, 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)-

Molecular Formula

C₃₉H₄₆F₂N₂O₅Si₂

Molecular Weight

717.0 g/mol

InChI Key

XXMINDVVBVJXLN-GOFGAPPUSA-N

1 2D Structure

CAS 272778-12-8

2 Identification

2.1 Computed Descriptors

2.1.1 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

2.1.2 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

2.1.3 InChI Key

XXMINDVVBVJXLN-GOFGAPPUSA-N

2.1.4 Canonical SMILES

C[Si](C)(C)OC1=CC=C(C=C1)C(C(CCC(C2=CC=C(C=C2)F)O[Si](C)(C)C)C(=O)N3C(COC3=O)C4=CC=CC=C4)NC5=CC=C(C=C5)F

2.1.5 Isomeric SMILES

C[Si](C)(C)OC1=CC=C(C=C1)[C@H]([C@@H](CC[C@@H](C2=CC=C(C=C2)F)O[Si](C)(C)C)C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)NC5=CC=C(C=C5)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 272778-12-8

2. Ezetimibe Impurity 9

3. (4s)-3-[(2r,5s)-2-[(s)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

4. 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

5. (4s3-[(2r,5s)-5-(4-fluorophenyl)-2-[(s)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl

6. 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)-

7. Schembl10045761

8. Amy19273

9. Mfcd08460200

10. Akos015896148

11. Zinc169745518

12. Ds-17844

13. Cs-0158135

14. I11556

15. 778o128

16. A818989

17. (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

18. (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

19. (s)-3-((2r,5s)-5-(4-fluorophenyl)-2-((s)-((4-fluorophenyl)amino)(4-((trimethyl Silyl)oxy)phenyl)methyl)-5-((trimethyl Silyl)oxy)pentanoyl)-4-phenyloxazolidin-2-one

20. 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

21. 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)-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₉H₄₆F₂N₂O₅Si₂
Molecular Weight	717.0 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	14
Exact Mass	716.29133197 g/mol
Monoisotopic Mass	716.29133197 g/mol
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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(S)-(+)-4-Phenyl-2-Oxazolidinone

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CAS Number

99395-88-7

End Use API

Ezetimibe

About the Company

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.

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