CAS 88150-62-3

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Also known as: Phthaloyl amlodipine, 88150-62-3, Phthaloylamlodipine, (+/-)-phthalimidoamlodipine, 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(1,3-dioxoisoindolin-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, 9qao5crp93

Molecular Formula

C₂₈H₂₇ClN₂O₇

Molecular Weight

539.0 g/mol

InChI Key

AHHPZGUFLGCZCF-UHFFFAOYSA-N

FDA UNII

9QAO5CRP93

1 2D Structure

CAS 88150-62-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

2.1.2 InChI

InChI=1S/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,30H,4,13-15H2,1-3H3

2.1.3 InChI Key

AHHPZGUFLGCZCF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN3C(=O)C4=CC=CC=C4C3=O

2.2 Other Identifiers

2.2.1 UNII

9QAO5CRP93

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Phthaloyl Amlodipine

2. 88150-62-3

3. Phthaloylamlodipine

4. (+/-)-phthalimidoamlodipine

5. 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(1,3-dioxoisoindolin-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

6. 9qao5crp93

7. Amlodipine Related Compound D

8. Mfcd07782096

9. 3,5-pyridinedicarboxylic Acid, 4-(2-chlorophenyl)-2-((2-(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)ethoxy)methyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl Ester

10. 3-o-ethyl 5-o-methyl 4-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

11. 3-ethyl 5-methyl (4rs)-4-(2-chlorophenyl)-2-((2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

12. 4-(2-chloroethyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridine

13. 4-(2-chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridine

14. 3-ethyl 5-methyl (4rs)-4-(2-chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

15. Amlodipine Ep Impurity A

16. Unii-9qao5crp93

17. Amlodipine Besilate Impurity A

18. Chembl295696

19. Schembl3185862

20. Dtxsid30893841

21. Bcp13465

22. Amlodipine Besilate Impurity A [ep]

23. Akos015895609

24. Sb64137

25. 3,5-pyridinedicarboxylic Acid,4-(2-chlorophenyl)-2-[[2-(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)ethoxy]methyl]-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl Ester

26. Ac-19466

27. As-75270

28. Sy107510

29. Cs-0136897

30. Ft-0658434

31. P2406

32. Amlodipine Related Compound D [usp-rs]

33. Ec 413-410-3

34. F19238

35. 150p623

36. A842484

37. Amlodipine Besilate Impurity A [ep Impurity]

38. Q-201577

39. Q27272892

40. 3-ethyl 5-methyl 4-(2-chlorophenyl)-1,4-dihydro-2-(2-(1,3-dihydro-1,3-dioxo-(2h)isoindol-2-yl)-ethoxymethyl)-6-methyl-3,5-pyridinedicarboxylate

41. 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-{[2-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)ethoxy]methyl}-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

42. 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-{[2-(1.3-dioxo-1.3-dihydro-2h-isoindol-2-yl) Ethoxy] Methyl}-6-methyl-1.4-dihydro-3.5-pyridine Dicarboxylate

43. 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-{[2-(1.3-dioxo-1.3-dihydro-2h-isoindol-2-yl) Ethoxy]methyl}-6-methyl-1.4-dihydro-3.5-pyridine Dicarboxylate

44. 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-{[2-(1.3-dioxo-1.3-dihydro-2h-isoindol-2-yl)ethoxy]methyl}-6-methyl-1.4-dihydro-3.5-pyridine Dicarboxylate

45. 3-ethyl-5-methyl-4-(2-chlorophenyl)-2-((2-(1,3-dioxoisoindolin-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

46. 4-(2-chlorophenyl)-2-methyl-6-[(2-phthalimidylethoxy)methyl]-1,4-dihydropyridine-3,5-dicarboxylic Acid 3-methyl 5-ethyl Ester

47. 4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-(2-phthalimidoethoxy)methyl-1,4-dihydropyridine

48. 4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-[2-phthalimidoethoxymethyl]-1,4-dihydropyridine

49. Phthaloyl Amlodipine; Amlodipine Usp Rc D; Phthalimido Amlodipine; 3-ethyl 5-methyl (4rs)-4-(2-chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₂₇ClN₂O₇
Molecular Weight	539.0 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	538.1506789 g/mol
Monoisotopic Mass	538.1506789 g/mol
Topological Polar Surface Area	111 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	999
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