CAS 119018-29-0

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Also known as: 119018-29-0, Glimepiride sulfonamide, Glimepiride related compound b, Glimepiride sulphonamide, 4-ethyl-3-methyl-5-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-2h-pyrrole-1-carboxamide, 612913u5l6

Molecular Formula

C₁₆H₂₁N₃O₄S

Molecular Weight

351.4 g/mol

InChI Key

AJEMFZRCUKJSES-UHFFFAOYSA-N

FDA UNII

612913U5L6

1 2D Structure

CAS 119018-29-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-ethyl-3-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide

2.1.2 InChI

InChI=1S/C16H21N3O4S/c1-3-14-11(2)10-19(15(14)20)16(21)18-9-8-12-4-6-13(7-5-12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)(H2,17,22,23)

2.1.3 InChI Key

AJEMFZRCUKJSES-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C

2.2 Other Identifiers

2.2.1 UNII

612913U5L6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 119018-29-0

2. Glimepiride Sulfonamide

3. Glimepiride Related Compound B

4. Glimepiride Sulphonamide

5. 4-ethyl-3-methyl-5-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-2h-pyrrole-1-carboxamide

6. 612913u5l6

7. 3-ethyl-4-methyl-2-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1h-pyrrole-1-carboxamide

8. 4-(2-((3-ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido)ethyl)benzenesulfonamide

9. 3-ethyl-4-methyl-2-oxo-n-[2-(4-sulphamoylphenyl)ethyl]-2,3-dihydro-1h-pyrrole-1-carboxamide (glimepiride Sulphonamide)

10. Unii-612913u5l6

11. Ec 411-850-0

12. Oprea1_386350

13. Schembl14371709

14. Dtxsid20152297

15. Amy33442

16. Bcp10472

17. Usp Glimepiride Related Compound B

18. Mfcd02955393

19. Stk993693

20. Zinc21298457

21. Akos005657772

22. Ac-1493

23. Cs-w022064

24. Gs-3185

25. 3-ethyl-4-methyl-2-oxo-n-(4-sulfamoylphenethyl)-2,5-dihydro-1h-pyrrole-1-carboxamide

26. 4-(2-((3-ethyl-4-methyl-2-oxo-pyrrolin-1-yl)carboxamido)ethyl)benzenesulfonamide)

27. 3-ethyl-4-methyl-2-oxo-2,5-dihydro-pyrrole-1-carboxylic Acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide

28. N-[2-[4-(aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-1h-pyrrole-1-carboxamide

29. Ft-0642911

30. Glimepiride Impurity B [ep Impurity]

31. C71616

32. Glimepiride Related Compound B [usp-rs]

33. 018e290

34. A804150

35. J-004054

36. Glimepiride Related Compound B [usp Impurity]

37. Q27263274

38. 4-[2-(2-oxo-3-ethyl-4-methyl-3-pyrroline-1-ylcarbonylamino)ethyl]benzenesulfonamide

39. 4-[2-(3-ethyl-4-methyl-2-oxo-3-pyrrolidine-1- Carboxamido)ethyl]benzenesulfonamide

40. 4-[2-[(3-ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl] Benzenesulfonamide

41. 1h-pyrrole-1-carboxamide, N-(2-(4-(aminosulfonyl)phenyl)ethyl)-3-ethyl-2,5-dihydro-4-methyl-2-oxo

42. 1h-pyrrole-1-carboxamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₁N₃O₄S
Molecular Weight	351.4 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	351.12527733 g/mol
Monoisotopic Mass	351.12527733 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	628
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1