CAS 144690-92-6

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BUILDING BLOCK

11 Suppliers, 11 End Use APIs, 34 Related Intermediates

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11 End Use APIs
34 Related Intermediates

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1 Intermediates

1 Intermediates

Chemistry

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Also known as: 144690-92-6, Trityl olmesartan medoxomil, Triphenyl methyl olmesartan, Trityl olmesartan, N1-tritylolmesartan medoxomil, N-1 trityl olmesartan medoxomil

Molecular Formula

C₄₈H₄₄N₆O₆

Molecular Weight

800.9 g/mol

InChI Key

IJOPLMOXIPGJIJ-UHFFFAOYSA-N

FDA UNII

8591TIT360

1 2D Structure

CAS 144690-92-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C48H44N6O6/c1-5-17-41-49-43(47(3,4)57)42(45(55)58-31-40-32(2)59-46(56)60-40)53(41)30-33-26-28-34(29-27-33)38-24-15-16-25-39(38)44-50-51-52-54(44)48(35-18-9-6-10-19-35,36-20-11-7-12-21-36)37-22-13-8-14-23-37/h6-16,18-29,57H,5,17,30-31H2,1-4H3

2.1.3 InChI Key

IJOPLMOXIPGJIJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC8=C(OC(=O)O8)C)C(C)(C)O

2.2 Other Identifiers

2.2.1 UNII

8591TIT360

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 144690-92-6

2. Trityl Olmesartan Medoxomil

3. Triphenyl Methyl Olmesartan

4. Trityl Olmesartan

5. N1-tritylolmesartan Medoxomil

6. N-1 Trityl Olmesartan Medoxomil

7. 8591tit360

8. (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate

9. (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

10. (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-imidazole-5-carboxylate

11. 1h-imidazole-5-carboxylic Acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1-(triphenylmethyl)-1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Ester

12. 1h-imidazole-5-carboxylic Acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Ester

13. Unii-8591tit360

14. (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

15. (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-{trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

16. 1h-imidazole-5-carboxylic Acid,4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1-(triphenylmethyl)-1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl)methyl)-,(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Ester

17. 1h-imidazole-5-carboxylic Acid,4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-,(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Ester

18. Ec 604-437-3

19. Schembl1653541

20. Olmesartan Medoxomil Impurity, N-alkyl Impurity- [usp]

21. Dtxsid70162785

22. Mfcd09954745

23. Zinc94313257

24. Akos015896144

25. Ac-3500

26. Am90291

27. Sb41036

28. Quinacrinedihydrochloridedihydrate

29. As-12483

30. Db-063556

31. Cs-0138129

32. Ft-0657780

33. F19426

34. A808264

35. Q27269619

36. Olmesartan Medoxomil Impurity, N-alkyl Impurity- [usp Impurity]

37. (5-methyl -2-oxo-1,3-dioxolen-4-yl)methyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

38. (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate

39. 1-[2'-(1-trityl-1h-tetrazole-5-yl)-4-biphenylylmethyl]-2-propyl-4-(1-hydroxy-1-methylethyl)-1h-imidazole-5-carboxylic Acid 2-oxo-5-methyl-1,3-dioxole-4-ylmethyl Ester

40. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Ester;trityl Olmesartan Medoxomil

2.4 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₄₈H₄₄N₆O₆
Molecular Weight	800.9 g/mol
XLogP3	8.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Exact Mass	800.33223314 g/mol
Monoisotopic Mass	800.33223314 g/mol
Topological Polar Surface Area	144 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1420
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