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    ibutamoren mesylate

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 159634-47-6, Ibutamoren [inn], Gj0egn38ul, Mk-0677, Chembl13817, (r)-2-amino-n-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide
    Molecular Formula
    C27H36N4O5S
    Molecular Weight
    528.7  g/mol
    InChI Key
    UMUPQWIGCOZEOY-JOCHJYFZSA-N
    FDA UNII
    GJ0EGN38UL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
    2.1.2 InChI
    InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
    2.1.3 InChI Key
    UMUPQWIGCOZEOY-JOCHJYFZSA-N
    2.1.4 Canonical SMILES
    CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N
    2.1.5 Isomeric SMILES
    CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N
    2.2 Other Identifiers
    2.2.1 UNII
    GJ0EGN38UL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ibutamoren Mesylate

    2. L 163,191

    3. L 163191

    4. L-163,191

    5. L-163191

    6. Mk 0677

    7. Mk-0677

    8. Mk-677

    2.3.2 Depositor-Supplied Synonyms

    1. 159634-47-6

    2. Ibutamoren [inn]

    3. Gj0egn38ul

    4. Mk-0677

    5. Chembl13817

    6. (r)-2-amino-n-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide

    7. 2-amino-2-methyl-n-[(2r)-1-(1-methylsulfonylspiro[2h-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

    8. L 163191

    9. 159634-47-6 (free Base)

    10. L-163,191

    11. Chembl542653

    12. 1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]

    13. 192511-65-2

    14. Unii-gj0egn38ul

    15. Ibutamoren [who-dd]

    16. Schembl739398

    17. Gtpl5867

    18. Ibutamoren (mk-677)

    19. Ibutamoren [nflis-drug]

    20. Dtxsid90166700

    21. Zinc1543181

    22. Bdbm50049478

    23. Bdbm50403624

    24. Akos025401779

    25. Ncgc00263115-01

    26. Ncgc00263115-05

    27. Ncgc00263115-10

    28. Ac-25509

    29. Q5984942

    30. 1-{[(2r)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4''-piperidine]-1''-yl}-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium

    31. 1kd

    32. 1n-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1h-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1r)-ethyl]-2-amino-2-methylpropanamide

    33. 1n-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1h-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1r)-ethyl]-2-amino-2-methylpropanamide [3a(mk-0677)]

    34. 1n-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1h-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1r)-ethyl]-2-amino-2-methylpropanamide(mk-0677)

    35. 2-amino-n-((r)-2-(benzyloxy)-1-((1-(methylsulfonyl)spiro(indoline-3,4'-piperidin)-1'-yl)carbonyl)ethyl)-2-methylpropionamide

    36. 2-amino-n-(3-(benzyloxy)-1-(1-methanesulfonyl-1,2-dihydrospiro(indole-3,4'-piperidin)-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide

    37. Propanamide, 2-amino-n-((1r)-2-(1,2-dihydro-1-(methylsulfonyl)spiro(3h-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-

    38. Propanamide, 2-amino-n-(2-(1,2-dihydro-1-(methylsulfonyl)spiro(3h-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-, (r)-

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 528.7 g/mol
    Molecular Formula C27H36N4O5S
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass528.24064144 g/mol
    Monoisotopic Mass528.24064144 g/mol
    Topological Polar Surface Area130 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity920
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1