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1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl Methyl Ester Dihydrochloride

1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl Methyl Ester Dihydrochloride

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1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl Methyl Ester Dihydrochloride

Also known as: 89226-75-5, Manidipine hydrochloride, Manidipine 2hcl, Manidipine hcl, Cv-4093, Calslot

Molecular Formula

C₃₅H₄₀Cl₂N₄O₆

Molecular Weight

683.6 g/mol

InChI Key

JINNGBXKBDUGQT-UHFFFAOYSA-N

FDA UNII

ZL507UZ6QL

1 2D Structure

1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl Methyl Ester Dihydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride

2.1.2 InChI

InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H

2.1.3 InChI Key

JINNGBXKBDUGQT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

ZL507UZ6QL

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (+)-manidipine

2. (+)-manidipine Dihydrochloride

3. (-)-manidipine

4. (-)-manidipine Dihydrochloride

5. (r)-(-)-manidipine

6. (r)-(-)-manidipine Dihydrochloride

7. (r)-manidipine

8. (r)-manidipine Dihydrochloride

9. (s)-(+)-manidipine

10. (s)-(+)-manidipine Dihydrochloride

11. (s)-manidipine

12. (s)-manidipine Dihydrochloride

13. 2-(4-diphenylmethyl-1-piperazinyl)ethyl Methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

14. Cv 4093

15. Cv-4093

16. Manidipine

17. Manidipine Hydrochloride

18. Manidipine, (+-)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 89226-75-5

2. Manidipine Hydrochloride

3. Manidipine 2hcl

4. Manidipine Hcl

5. Cv-4093

6. Calslot

7. Franidipine Hydrochloride

8. Manidipine (dihydrochloride)

9. Manidipine.2hcl

10. 3-(2-(4-benzhydrylpiperazin-1-yl)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Dihydrochloride

11. Manidipine Hydrochloride [jan]

12. 126229-12-7

13. Zl507uz6ql

14. Cv4093

15. Cv 4093

16. 5-o-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride

17. 89226-75-5 (hcl)

18. Dsstox_cid_796

19. Dsstox_rid_75794

20. Dsstox_gsid_20796

21. Cas-89226-75-5

22. (+-)-manidipine Hydrochloride

23. Ncgc00167493-01

24. Ncgc00167493-04

25. Unii-zl507uz6ql

26. Manidipinehcl

27. Calslot (tn)

28. Schembl247919

29. Chembl2362693

30. Dtxsid9020796

31. Chebi:31800

32. Manidipine Hydrochloride (jp17)

33. Bcp22692

34. Tox21_112494

35. Mfcd00896434

36. Akos015920141

37. Tox21_112494_1

38. Ac-2117

39. Ccg-270371

40. Cs-1132

41. Ks-1270

42. Manidipine Dihydrochloride (cv-4093)

43. Manidipine Dihydrochloride [mi]

44. Manidipine Hydrochloride [mart.]

45. Manidipine Hydrochloride [who-dd]

46. 2-[4-(diphenylmethyl)piperazin-1-yl]ethyl Methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Dihydrochloride

47. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl Methyl Ester, Dihydrochloride

48. Hy-17403

49. Db-057119

50. Ft-0630961

51. M2225

52. S2482

53. Sw219348-1

54. D01553

55. 226m506

56. Q27295683

57. 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl Methyl Ester Dihydrochloride

58. 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl Methyl (+/-)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinecarboxylate Dihydrochloride

59. 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl Methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarbo

60. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 5-methyl Ester, Hydrochloride (1:2)

61. 3-(2-(4-benzhydrylpiperazin-1-yl)ethyl)5-methyl2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylatedihydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₃₅H₄₀Cl₂N₄O₆
Molecular Weight	683.6 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Exact Mass	682.2324904 g/mol
Monoisotopic Mass	682.2324904 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1090
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	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antihypertensive Agents

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

Calcium Channel Blockers

A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)