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CAS 189400-21-3
PharmaCompass
CAS 189400-21-3
Also known as: 189400-21-3, 144690-33-5, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic acid ethyl ester, Ethyl 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, Schembl1966071, Ks-00000txd
Molecular Formula
C45H44N6O3
Molecular Weight
716.886  g/mol
InChI Key
TZQDBKJBKJIHPR-UHFFFAOYSA-N

1 2D Structure

CAS 189400-21-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 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/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
2.1.3 InChI Key
TZQDBKJBKJIHPR-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)OCC)C(C)(C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 189400-21-3

2. 144690-33-5

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

4. Ethyl 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

5. Schembl1966071

6. Ks-00000txd

7. Dtxsid00597607

8. Molport-028-744-390

9. Zinc72132770

10. Akos015896701

11. Olmesartan Ethyl Ester Trityl Impurity

12. Ac-3501

13. Rp17799

14. An-12901

15. Ds-19558

16. Kb-186069

17. 400h213

18. I06-2226

19. J-520918

20. 1-[[2'-(1-trityl-1h-tetrazole-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-propyl-4-(1-hydroxy-1-methylethyl)-1h-imidazole-5-carboxylic Acid Ethyl Ester

21. 1h-imidazole-5-carboxylic Acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1h-tetraz Ol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, Ethyl Ester

22. 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 Ethyl Ester

23. 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 Ethyl Ester (tritylolmesartan Ethyl Ester)

24. 4-(2-hydroxypropan-2-yl)-2-propyl-1-[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-ylmethyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester

25. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl }methylimidazole-5-carboxylate

26. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

27. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-imidazole-5-carboxylate

28. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-({2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1h-imidazole-5-carboxylate

29. Ethyl 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

30. Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-({2'-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)imidazole-4-carboxylate

31. Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

32. Ethyl-4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 716.886 g/mol
Molecular Formula C45H44N6O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass716.347 g/mol
Monoisotopic Mass716.347 g/mol
Topological Polar Surface Area108 A^2
Heavy Atom Count54
Formal Charge0
Complexity1110
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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