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    SRX 246

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Srx246, 512784-93-9, Srx 246, 372x2p22uy, Dtxsid701032257, Refchem:185218
    Molecular Formula
    C42H49N5O5
    Molecular Weight
    703.9  g/mol
    InChI Key
    FJUKOXWSIGULLE-JVOQCOEYSA-N
    FDA UNII
    372X2P22UY
    a V1a receptor antagonist; structure in first source
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
    2.1.2 InChI
    InChI=1S/C42H49N5O5/c1-30(32-16-8-3-9-17-32)43-40(49)36(28-38(48)45-26-22-34(23-27-45)44-24-12-5-13-25-44)46-35(21-20-31-14-6-2-7-15-31)39(41(46)50)47-37(29-52-42(47)51)33-18-10-4-11-19-33/h2-4,6-11,14-21,30,34-37,39H,5,12-13,22-29H2,1H3,(H,43,49)/b21-20+/t30-,35-,36-,37-,39+/m1/s1
    2.1.3 InChI Key
    FJUKOXWSIGULLE-JVOQCOEYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    372X2P22UY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Srx246

    2.3.2 Depositor-Supplied Synonyms

    1. Srx246

    2. 512784-93-9

    3. Srx 246

    4. 372x2p22uy

    5. Dtxsid701032257

    6. Refchem:185218

    7. Dtxcid001517266

    8. (alphar)-gamma-oxo-alpha-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)(1,4'-bipiperidine)-1'-butanamide

    9. (1,4'-bipiperidine)-1'-butanamide, Gamma-oxo-alpha-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)-, (alphar)-

    10. Gamma-oxo-alpha-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)-(alphar)-(1,4'-bipiperidine)-1'-butanamide

    11. (2r)-4-oxo-2-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-((1e)-2-phenylethenyl)azetidin-1-yl)-n-((1s)-1-phenylethyl)-4-(4-(2-(piperidin-1-yl)ethyl)piperidin-1-yl)butanamide

    12. Unii-372x2p22uy

    13. Chembl395817

    14. (2r)-4-oxo-2-[(3s,4r)-2-oxo-3-[(4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(e)-2-phenylethenyl]azetidin-1-yl]-n-[(1r)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide

    15. Orb1706602

    16. Schembl14198966

    17. Bdbm50202920

    18. Ex-a12241

    19. Nsc782566

    20. Akos040742647

    21. Nsc-782566

    22. Da-58079

    23. Ms-31178

    24. Hy-105685

    25. Cs-0026445

    26. G17232

    27. (.alpha.r)-.gamma.-oxo-.alpha.-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)(1,4'-bipiperidine)-1'-butanamide

    28. (1,4'-bipiperidine)-1'-butanamide, .gamma.-oxo-.alpha.-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)-, (.alpha.r)-

    29. .gamma.-oxo-.alpha.-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)-(.alpha.r)-(1,4'-bipiperidine)-1'-butanamide

    30. 2(r)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylmethyl]-2-[3(s)-(4(s)-phenyloxazolidin-2-on-3-yl)-4(r)-(2-styryl)azetidin-2-on-1-yl]acetic Acid N-[(r)-alpha-methylbenzyl]amide

    2.4 Create Date
    2009-11-19
    3 Chemical and Physical Properties
    Molecular Weight 703.9 g/mol
    Molecular Formula C42H49N5O5
    XLogP35.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area103
    Heavy Atom Count52
    Formal Charge0
    Complexity1260
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antidiuretic Hormone Receptor Antagonists

    Endogenous compounds and drugs that inhibit or block the activity of ANTIDUIRETIC HORMONE RECEPTORS.

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