Shamrock Medicaments

CAS 144689-93-0

Chemistry, 12 End Use API, 27 Related Intermediates

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4 Intermediates

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Also known as: 144689-93-0, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate, 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylic acid ethyl ester, Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-5-carboxylate, Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-4-carboxylate, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylate

Molecular Formula

C₁₂H₂₀N₂O₃

Molecular Weight

240.30 g/mol

InChI Key

KZBJJAFGNMRRHN-UHFFFAOYSA-N

1 2D Structure

CAS 144689-93-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)

2.1.3 InChI Key

KZBJJAFGNMRRHN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 144689-93-0

2. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

3. 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylic Acid Ethyl Ester

4. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-5-carboxylate

5. Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-4-carboxylate

6. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylate

7. 1h-imidazole-4-carboxylic Acid,5-(1-hydroxy-1-methylethyl)-2-propyl-,ethyl Ester

8. Mfcd07787565

9. Ethyl 4-(2-hydroxy-2-propyl)-2-propyl-1h-imidazole-5-carboxylate

10. Ec 604-434-7

11. Schembl987234

12. Dtxsid40441791

13. Bcp12023

14. Zinc21298029

15. Akos015856335

16. Am84409

17. Ds-0283

18. Ex-a3316-3

19. 1h-imidazole-5-carboxylic Acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, Ethyl Ester

20. Sy021273

21. Cs-0131776

22. E0976

23. Ft-0647781

24. 689h930

25. A808262

26. Q-200401

27. Ethyl 5-(2-hydroxy-2-propanyl)-2-propyl-1h-imidazole-4-carboxylate

28. Ethyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

29. Ethyl4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

30. 2-propyl-4-(1-hydroxy-1-methylethyl)-1h-imidazole-5-carboxylic Acid Ethyl Ester

31. 2-propyl-5-(1-hydroxy-1-methylethyl)-3h-imidazole-4-carboxylic Acid Ethyl Ester

32. 4-(1-hydroxy-1-methylethyl)-2-propyl Imidazol-5-carboxylic Acid Ethyl Ester

33. 4-(2-hydroxy-2-propyl)-2-propyl-1h-imidazole-5-carboxylic Acid Ethyl Ester

34. 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-1h-imidazole-4-carboxylic Acid Ethyl Ester

35. Olmesartan Impurity (ethyl 4-(1-hydroxy-1-methylethyl)-2- Propyl-imidazole-5-carboxylate)

36. 3-ethyl-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylate;olmesartan Impurity 2

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀N₂O₃
Molecular Weight	240.30 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	240.14739250 g/mol
Monoisotopic Mass	240.14739250 g/mol
Topological Polar Surface Area	75.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269
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

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CAS Number

80841-78-7

End Use API

Olmesartan Medoxomil

About the Company

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evoluti...

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evolution. Established within the robust Shamrock Group in 2001 with a hefty $35 million investment, its inception aimed to cater to the global pharmaceutical market by leveraging India's capabilities. Over time, the company diversified its offerings, expanding into custom manufacturing of pharmaceutical raw materials, intermediates, and chemicals pertinent to the pharmaceutical industry. This strategic expansion likely enabled Shamrock Medicaments Ltd to cement its position as a significant player in the pharmaceutical landscape.

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