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Chemistry

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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

Buloxibutid
1 2D Structure

Buloxibutid

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.)


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