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Overview of CAS 3543-74-6

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4CH-021420
PharmaCompass
4CH-021420
Also known as: 3543-74-6, Ethyl 4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1h-benzo[d]imidazol-2-yl)butanoate, 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1h-benzoimidazol-2-yl}-butyric acid ethyl ester, Ak-40684, 5-(bis(2-hydroxyethyl)amino)-1-methyl-1h-benzimidazole-2-butanoic acid ethyl ester, 1h-benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
Molecular Formula
C18H27N3O4
Molecular Weight
349.4  g/mol
InChI Key
SJYOJVBTSZGDQH-UHFFFAOYSA-N

1 2D Structure

4CH-021420

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
2.1.2 InChI
InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3
2.1.3 InChI Key
SJYOJVBTSZGDQH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCO)CCO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3543-74-6

2. Ethyl 4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1h-benzo[d]imidazol-2-yl)butanoate

3. 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1h-benzoimidazol-2-yl}-butyric Acid Ethyl Ester

4. Ak-40684

5. 5-(bis(2-hydroxyethyl)amino)-1-methyl-1h-benzimidazole-2-butanoic Acid Ethyl Ester

6. 1h-benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, Ethyl Ester

7. Ethyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1h-benzimidazol-2-yl}butanoate

8. Ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methyl-1h-benzimidazol-2-yl]butanoate

9. Sjyojvbtszgdqh-uhfffaoysa-n

10. 4-(5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1h-benzoimidazol-2-yl)-butyric Acid Ethyl Ester

11. Pubchem23572

12. Schembl365881

13. Bendamustine Related Impurity 1

14. Ctk5i0866

15. Dtxsid00517744

16. Lqt-b00516

17. Bcp06804

18. Ks-00000i4f

19. Anw-59263

20. Zinc22062714

21. Akos015917969

22. Ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate

23. Ac-6923

24. Acn-029905

25. Ls41058

26. [1-methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester

27. As-19143

28. Ab1008553

29. Ax8163962

30. Tx-010723

31. 4ch-021420

32. Am20090667

33. Ft-0671562

34. St24046995

35. X4797

36. 543b746

37. [1-methyl-5-bis(2\'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester

38. 1-methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester

39. 1-methyl-5-bis(2-hydroxyethyl)aminobenzimidazolyl-2-butanoic Ethyl Ester

40. 1h-benzimidazole-2-butanoic Acid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, Ethyl Ester

41. 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1h-benzimidazol-2-yl}-butyric Acid Ethyl Ester

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 349.4 g/mol
Molecular Formula C18H27N3O4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass349.200156 g/mol
Monoisotopic Mass349.200156 g/mol
Topological Polar Surface Area87.8
Heavy Atom Count25
Formal Charge0
Complexity404
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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