CAS 74936-72-4

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Also known as: 74936-72-4, 5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-methyl ester, 5du0e310oi, Mfcd00475478, 1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid

Molecular Formula

C₁₆H₁₆N₂O₆

Molecular Weight

332.31 g/mol

InChI Key

JPXPPUOCSLMCHK-UHFFFAOYSA-N

FDA UNII

5DU0E310OI

1 2D Structure

CAS 74936-72-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)

2.1.3 InChI Key

JPXPPUOCSLMCHK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

2.2 Other Identifiers

2.2.1 UNII

5DU0E310OI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,4-dihydro-2,6-dimethyl-4--(3-nitrophenyl)pyridine-3-carboxylic Acid-5-carboxylic Methyl Ester

2. Carboxy-nifedipine

2.3.2 Depositor-Supplied Synonyms

1. 74936-72-4

2. 5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic Acid

3. 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-methyl Ester

4. 5du0e310oi

5. Mfcd00475478

6. 1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic Acid

7. C16h16n2o6

8. 2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic Acid

9. Carboxy-nifedipine

10. 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic Acid Methyl Ester

11. 5-methoxycarbonyl-2,6-dimethyl-4(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic Acid

12. 5-methoxycarbonyl-2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3-carboxylic Acid

13. Methyl Hydrogen 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

14. Unii-5du0e310oi

15. Einecs 278-034-2

16. Ec 278-034-2

17. 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid Monomethyl Ester

18. Oprea1_121164

19. Oprea1_604243

20. Schembl336400

21. Dtxsid10996440

22. Act03361

23. Amy19235

24. Bcp22781

25. Bcp33859

26. Bcp33874

27. Stk386437

28. Akos000652903

29. Akos016302807

30. Ac-1399

31. Cs-w011947

32. Dl-0029

33. Sb21126

34. 5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylicacid

35. 1,4-dihydro-2,6-dimethyl-4--(3-nitrophenyl)pyridine-3-carboxylic Acid-5-carboxylic Methyl Ester

36. Sy106039

37. Eu-0035138

38. Ft-0657419

39. Ft-0666971

40. Ft-0666972

41. M2493

42. D71220

43. A838273

44. W-104403

45. Q27261893

46. Nifedipine Impurity 2 (nicardipine Carboxylic Acid Derivative )

47. (+)-2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine

48. (-)-2,6-dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine

49. 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-methoxycarbonyl-pyridine-3-carboxylic Acid

50. 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridine-dicarboxylic Acid Monomethyl Ester

51. 1,4-dihydro-2,6-dimethyl-5-methoxycabonyl-4-(3-nitrophenyl)pyridine-3-carboxylic Acid

52. 1,4-dihydro-2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl) Pyridine-3-carboxylic Acid

53. 1,4-dihydro-2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)pyridine-3-carboxylic Acid

54. 1,4-dihydro-2,6-dimethyl-5-methyoxycarbonyl-4-(3-nitrophenyl)pyridine-3-carboxylic Acid

55. 1,4-dihydro-2.6-dimethyl-4-(m-nitrophenyl)-pyridine-3,5-dicarboxylic Acid 3-methyl Ester

56. 2,6-dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine

57. 2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydro Pyridine-3,5-dicarboxylic Acid 5-methyl Ester

58. 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic Acid Monomethyl Ester

59. 3-methoxycarbonyl-2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-5-carboxylic Acid

60. 4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5dicarboxylic Acid 3-methyl Ester

61. 4-(3-nitrophenyl)-2,6-dimethyl-3-methoxycarbonyl-1,4-dihydropyridine-5-carboxylic Acid

62. 5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic Acid

63. Dimethyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro Pyridine-3,5-dicarboxalate?

64. Monomethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

65. (+/-)-1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic Acid

66. (-)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridine-carboxylic Acid

67. 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-methylester

68. 2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic Acid Monomethyl Ester

69. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl Ester

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₆N₂O₆
Molecular Weight	332.31 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	121
Heavy Atom Count	24
Formal Charge	0
Complexity	631
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1