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    Technical details about Rovatirelin, learn more about the structure, uses, toxicity, action, side effects and more

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    Rovatirelin

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    2D Structure
    1. Also known as: Rovatirelin [inn], Ravatirelin, 204386-76-5, 9dl0x410py, Kps-0373, S-0373
    Molecular Formula
    C16H22N4O4S
    Molecular Weight
    366.4  g/mol
    InChI Key
    WTXWDXWZGJGIHV-URBCHYCLSA-N
    FDA UNII
    9DL0X410PY
    Rovatirelin is under investigation in clinical trial NCT01384435 (A Phase II Double Blind Comparative Study of KPS-0373 in Patients With Spinocerebellar Degeneration (SCD)).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S,5S)-5-methyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
    2.1.2 InChI
    InChI=1S/C16H22N4O4S/c1-9-4-3-5-20(9)15(22)12(6-11-7-25-8-17-11)18-14(21)13-10(2)24-16(23)19-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,21)(H,19,23)/t9-,10+,12+,13+/m1/s1
    2.1.3 InChI Key
    WTXWDXWZGJGIHV-URBCHYCLSA-N
    2.1.4 Canonical SMILES
    CC1CCCN1C(=O)C(CC2=CSC=N2)NC(=O)C3C(OC(=O)N3)C
    2.1.5 Isomeric SMILES
    C[C@@H]1CCCN1C(=O)[C@H](CC2=CSC=N2)NC(=O)[C@@H]3[C@@H](OC(=O)N3)C
    2.2 Other Identifiers
    2.2.1 UNII
    9DL0X410PY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (1-(((5-methyl-2-oxooxazolidin-4-yl)carbonyl)-3-(thiazol-4-yl)alanyl)-2-methylpyrrolidine

    2.3.2 Depositor-Supplied Synonyms

    1. Rovatirelin [inn]

    2. Ravatirelin

    3. 204386-76-5

    4. 9dl0x410py

    5. Kps-0373

    6. S-0373

    7. (4s,5s)-5-methyl-n-((2s)-1-((2r)-2-methylpyrrolidin-1-yl)-1-oxo-3-((1,3-thiazol-4-yl)methyl)propan-2-yl)-2-oxo-1,3-oxazolidine-4-carboxamide

    8. 4-oxazolidinecarboxamide, 5-methyl-n-[(1s)-2-[(2r)-2-methyl-1-pyrrolidinyl]-2-oxo-1-(4-thiazolylmethyl)ethyl]-2-oxo-, (4s,5s)-

    9. Ravatirelin [inn]

    10. Unii-9dl0x410py

    11. 4-oxazolidinecarboxamide, 5-methyl-n-((1s)-2-((2r)-2-methyl-1-pyrrolidinyl)-2-oxo-1-(4-thiazolylmethyl)ethyl)-2-oxo-, (4s,5s)-

    12. Chembl4297622

    13. Schembl14306794

    14. Dtxsid90174385

    15. Db15338

    16. J3.663.192i

    17. Q27272404

    18. (1-(((5-methyl-2-oxooxazolidin-4-yl)carbonyl)-3-(thiazol-4-yl)alanyl)-2-methylpyrrolidine

    19. (4s,5s)-5-methyl-n-[(2s)-1-[(2r)-2-methylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

    20. 4-oxazolidinecarboxamide, 5-methyl-n-(2-(2-methyl-1-pyrrolidinyl)-2-oxo-1-(4-thiazolylmethyl)ethyl)-2-oxo-, (4s-(4.alpha.(r*(s*)),5.alpha.))-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 366.4 g/mol
    Molecular Formula C16H22N4O4S
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass366.13617637 g/mol
    Monoisotopic Mass366.13617637 g/mol
    Topological Polar Surface Area129 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity546
    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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