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    Buloxibutid

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 477775-14-7, Compound 21, At2 agonist c21, Buloxibutid, At2 receptor agonist c21, M 24
    Molecular Formula
    C23H29N3O4S2
    Molecular Weight
    475.6  g/mol
    InChI Key
    XTEOJPUYZWEXFI-UHFFFAOYSA-N
    FDA UNII
    RC2V4W0EYC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
    2.1.2 InChI
    InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
    2.1.3 InChI Key
    XTEOJPUYZWEXFI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3
    2.2 Other Identifiers
    2.2.1 UNII
    RC2V4W0EYC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. C-21

    2. C-21 Sodium

    3. C21

    4. C21 Sodium

    5. Compound 21

    6. Compound 21 Sodium

    2.3.2 Depositor-Supplied Synonyms

    1. 477775-14-7

    2. Compound 21

    3. At2 Agonist C21

    4. Buloxibutid

    5. At2 Receptor Agonist C21

    6. M 24

    7. C-21

    8. Rc2v4w0eyc

    9. Chembl189568

    10. T2 Agonist Compound 21

    11. Compound 21 [pmid: 22802221]

    12. M-24

    13. Butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate

    14. Butyl 3-(4-((1h-imidazol-1-yl)methyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate

    15. Butyl ((3-(4-((1h-imidazol-1-yl)methyl)phenyl)-5-isobutylthiophen-2-yl)sulfonyl)carbamate

    16. N-[[3-[4-(1h-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]carbamic Acid Butyl Ester

    17. Butyl [3-[4-[(1h-imidazol-1-yl)methyl]phenyl]-5-isobutylthiophen-2-yl]sulfonylcarbamate

    18. Carbamic Acid, ((3-(4-(1h-imidazol-1-ylmethyl)phenyl)-5-(2-methylpropyl)-2-thienyl)sulfonyl)-, Butyl Ester

    19. Carbamic Acid, [[3-[4-(1h-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]-, Butyl Ester

    20. Buloxibutid [inn]

    21. 3-[4-(1h-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophene-2-[(n-butyloxylcarbamate)-sulphonamide] Sodium Salt

    22. Unii-rc2v4w0eyc

    23. Schembl557591

    24. Gtpl6918

    25. C 21 [who-dd]

    26. Xteojpuyzwexfi-uhfffaoysa-n

    27. Bcp30872

    28. Cua77514

    29. Bdbm50156173

    30. Akos030231077

    31. At18254

    32. Sb18730

    33. Ncgc00386668-01

    34. M024/c21

    35. Ms-28827

    36. Ds-017243

    37. Hy-100113

    38. Cs-0018094

    39. M-024

    40. M 24;m-24;m24;c-21

    41. Q27076423

    42. N-butyloxycarbonyl-3-(4-imidazol-1-ylmethylphenyl)-5-iso-butylthiophene-2-sulfonamide

    43. (1-((2''-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1h-imidazol-5-yl)methanol

    44. Butyl [3-{4-[(1h-imidazol-1-yl)methyl]phenyl}-5-(2-methylpropyl)thiophene-2-sulfonyl]carbamate

    45. Butyl N-{3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-ylsulfonyl}carbamate

    46. Carbamic Acid, [[3-[4-(1h-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfon Yl]-, Butyl Ester

    47. Carbamic Acid,[[3-[4-(1h-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]-, Butyl Ester

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 475.6 g/mol
    Molecular Formula C23H29N3O4S2
    XLogP35.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area127
    Heavy Atom Count32
    Formal Charge0
    Complexity690
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents

    Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)