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CAS 3543-72-4 manufacturers and suppliers on PharmaCompass

PharmaCompass
4CH-010129
Also known as: 3543-72-4, 1-methyl-5-nitro-1h-benzimidazole-2-butanoic acid ethyl ester, Ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate, Ethyl 4-(1-methyl-5-nitro-1h-1,3-benzodiazol-2-yl)butanoate, Schembl15436071, Dtxsid60517745
Molecular Formula
C14H17N3O4
Molecular Weight
291.30  g/mol
InChI Key
VJVBGSJZBDBEIF-UHFFFAOYSA-N

1 2D Structure

4CH-010129

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate
2.1.2 InChI
InChI=1S/C14H17N3O4/c1-3-21-14(18)6-4-5-13-15-11-9-10(17(19)20)7-8-12(11)16(13)2/h7-9H,3-6H2,1-2H3
2.1.3 InChI Key
VJVBGSJZBDBEIF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3543-72-4

2. 1-methyl-5-nitro-1h-benzimidazole-2-butanoic Acid Ethyl Ester

3. Ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate

4. Ethyl 4-(1-methyl-5-nitro-1h-1,3-benzodiazol-2-yl)butanoate

5. Schembl15436071

6. Dtxsid60517745

7. Bcp05828

8. Mfcd09840985

9. Zinc22063437

10. Akos015898504

11. Ss-4584

12. Ac-22357

13. Db-069208

14. Am20090669

15. Cs-0151583

16. Ft-0672003

17. H10140

18. 543m724

19. A822802

20. Ethyl 4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoate

21. Ethyl 4-(1-methyl-5-nitro-1h-benzimidazol-2-yl)butanoate

22. 4-(1-methyl-5-nitro-2-benzimidazolyl)butanoic Acid Ethyl Ester

23. 1h-benzimidazole-2-butanoic Acid, 1-methyl-5-nitro-, Ethyl Ester

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 291.30 g/mol
Molecular Formula C14H17N3O4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass291.12190603 g/mol
Monoisotopic Mass291.12190603 g/mol
Topological Polar Surface Area89.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
3543-72-4
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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