CAS 189400-21-3

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Also known as: 189400-21-3, 144690-33-5, 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, Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate, Olmesartan ethyl ester trityl impurity, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[4-[2-(trityltetrazol-5-yl)phenyl]phenyl]methylimidazole-5-carboxylate

Molecular Formula

C₄₅H₄₄N₆O₃

Molecular Weight

716.9 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. 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

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

5. Olmesartan Ethyl Ester Trityl Impurity

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

7. 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

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

9. Ac-3501

10. Schembl1966071

11. Dtxsid00597607

12. Amy22221

13. Bcp12280

14. Mfcd11973634

15. Zinc72132770

16. Akos015896701

17. Ds-19558

18. Olmesartan Ethyl Ester N-1 Trityl Analog

19. Cs-0163094

20. D83710

21. 400h213

22. J-520918

23. 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

24. 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 Este

25. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylicacidethylester

26. 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

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

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

29. 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

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

31. Ethyl4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate

32. N1-trityl Olmesartan Ethyl Ester Analog; 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

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₄₅H₄₄N₆O₃
Molecular Weight	716.9 g/mol
XLogP3	8.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	14
Exact Mass	716.34748929 g/mol
Monoisotopic Mass	716.34748929 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1110
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