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

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    Relenopride

    PharmaCompass

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    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

    2D Structure
    1. Also known as: 1221416-43-8, Sis5bfo4wl, Ykp10811, Ykp-10811, (s)-(3-(4-(((4-amino-5-chloro-2-methoxybenzoyl)amino)methyl)piperidin-1- yl)-1-(4-fluorophenyl)propyl) carbamate, Unii-sis5bfo4wl
    Molecular Formula
    C24H30ClFN4O4
    Molecular Weight
    493.0  g/mol
    InChI Key
    KGMMSPVVHZGPHL-NRFANRHFSA-N
    FDA UNII
    SIS5BFO4WL
    Relenopride has been used in trials studying the treatment of Chronic Idiopathic Constipation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1S)-3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-1-(4-fluorophenyl)propyl] carbamate
    2.1.2 InChI
    InChI=1S/C24H30ClFN4O4/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31)/t21-/m0/s1
    2.1.3 InChI Key
    KGMMSPVVHZGPHL-NRFANRHFSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCC(C3=CC=C(C=C3)F)OC(=O)N)Cl)N
    2.1.5 Isomeric SMILES
    COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CC[C@@H](C3=CC=C(C=C3)F)OC(=O)N)Cl)N
    2.2 Other Identifiers
    2.2.1 UNII
    SIS5BFO4WL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Carbamic Acid 3-(4-((4-amino-5-chloro-2-methoxybenzoylamino)methyl)piperidin-1-yl)-1-(4-fluorophenyl)propyl Ester

    2. Ykp10811

    2.3.2 Depositor-Supplied Synonyms

    1. 1221416-43-8

    2. Sis5bfo4wl

    3. Ykp10811

    4. Ykp-10811

    5. (s)-(3-(4-(((4-amino-5-chloro-2-methoxybenzoyl)amino)methyl)piperidin-1- Yl)-1-(4-fluorophenyl)propyl) Carbamate

    6. Unii-sis5bfo4wl

    7. Relenopride [usan:inn]

    8. Ykp 10811

    9. Relenopride [inn]

    10. Relenopride (usan/inn)

    11. Relenopride [usan]

    12. Relenopride [who-dd]

    13. Gtpl8427

    14. Schembl2335988

    15. Chembl3544975

    16. Dtxsid50153530

    17. Db12798

    18. [(1s)-3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-1-(4-fluorophenyl)propyl] Carbamate

    19. D11220

    20. Q27088530

    21. (1s)-3-(4-((4-amino-5-chloro-2-methoxybenzamido)methyl)piperidin-1-yl)-1-(4-fluorophenyl)propyl Carbamate

    22. Benzamide, 4-amino-n-((1-((3s)-3-((aminocarbonyl)oxy)-3-(4-fluorophenyl)propyl)-4-piperidinyl)methyl)-5-chloro-2-methoxy-

    2.4 Create Date
    2010-05-10
    3 Chemical and Physical Properties
    Molecular Weight 493.0 g/mol
    Molecular Formula C24H30ClFN4O4
    XLogP33.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass492.1939613 g/mol
    Monoisotopic Mass492.1939613 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity659
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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