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CAS 144690-92-6
PharmaCompass
CAS 144690-92-6
Also known as: 144690-92-6, Trityl olmesartan medoxomil, Trityl olmesartan, Tritylolmesartan medoxomil, Unii-8591tit360, 8591tit360
Molecular Formula
C48H44N6O6
Molecular Weight
800.916  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. Trityl Olmesartan

4. Tritylolmesartan Medoxomil

5. Unii-8591tit360

6. 8591tit360

7. Ak159909

8. 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

9. 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

10. N1-tritylolmesartan Medoxomil

11. (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

12. (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

13. 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

14. Ec 604-437-3

15. Tritylolmesartan(forolmesartan)

16. Schembl1653541

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

18. Ctk8e7600

19. N-1 Trityl Olmesartan Medoxomil

20. Dtxsid70162785

21. Ijoplmoxipgjij-uhfffaoysa-n

22. Molport-003-987-528

23. C48h44n6o6

24. Ks-00000h8b

25. Zinc94313257

26. Akos015896144

27. Trityl Olmesartan Medoxomil (99.5%)

28. Ac-3500

29. Am90291

30. Rp17801

31. (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

32. An-12900

33. He073586

34. He311791

35. Ab0012009

36. Kb-309768

37. Rt-016145

38. Tl8006165

39. Ft-0657780

40. St51053178

41. A808264

42. I06-1660

43. (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

44. (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl 5-(2-oxidanylpropan-2-yl)-2-propyl-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carboxylate

45. (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

46. 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

47. 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

48. 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

49. 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic Acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Ester

2.4 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 800.916 g/mol
Molecular Formula C48H44N6O6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass800.332 g/mol
Monoisotopic Mass800.332 g/mol
Topological Polar Surface Area144 A^2
Heavy Atom Count60
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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