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    CAS 272778-12-8
    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 Weight 717.0 g/mol
    Molecular Formula C39H46F2N2O5Si2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count14
    Exact Mass716.29133197 g/mol
    Monoisotopic Mass716.29133197 g/mol
    Topological Polar Surface Area77.1 Ų
    Heavy Atom Count50
    Formal Charge0
    Complexity1080
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                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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                Sanpra Synthesis

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                  Borane Dimethyl Sulphide Complex 10.0 M in DMS

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                  13292-87-0
                  Ezetimibe
                  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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                  Sanpra Synthesis

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                    Borane Dimethyl Sulphide 2.0 M in THF

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                    13292-87-0
                    Ezetimibe
                    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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                    Suraj Labs

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                      4-(4-Fluorobenzyl)Butyric Acid

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                      149437-76-3
                      Ezetimibe
                      Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Rese...
                      Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Research and Manufacturing Services (CRAMS), Custom Synthesis, and cGMP scale manufacturing services necessary for the large-scale production of Active Pharmaceutical Ingredients (APIs), Saleable Intermediates for APIs, and Key Starting Materials (KSMs). It operates as a specialized pharmaceutical bulk drug manufacturing entity located in India.
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                      Vasista Life Sciences

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                        S-(+)-4-PHENYL-2-OXAZOLIDINONE (S-POZ)

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                        99395-88-7
                        Ezetimibe
                        Vasista Group (Vasista Life Sciences Pvt Ltd., and Vasista Pharma Chem Pvt Ltd.,) wants to become one of ...
                        Vasista Group (Vasista Life Sciences Pvt Ltd., and Vasista Pharma Chem Pvt Ltd.,) wants to become one of the most preferred, innovative, trusted organization in Global Healthcare & Chemical Industry. Vasista is known for its kind of specialized products from initiation of the company and providing chemistry related services right from basic chemical entities to high quality Active Pharmaceutical Ingredients.
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                        Vasista Life Sciences

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                          4-(4-FLUOROBENZYL)BUTYRIC ACID

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                          149437-76-3
                          Ezetimibe
                          Vasista Group (Vasista Life Sciences Pvt Ltd., and Vasista Pharma Chem Pvt Ltd.,) wants to become one of ...
                          Vasista Group (Vasista Life Sciences Pvt Ltd., and Vasista Pharma Chem Pvt Ltd.,) wants to become one of the most preferred, innovative, trusted organization in Global Healthcare & Chemical Industry. Vasista is known for its kind of specialized products from initiation of the company and providing chemistry related services right from basic chemical entities to high quality Active Pharmaceutical Ingredients.
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                          veranova-m-2024-04-22

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                          Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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