CAS 4093-31-6

Chemistry, 2 End Use API, 6 Related Intermediates

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Also known as: 4093-31-6, Methyl 4-acetamido-5-chloro-o-anisate, Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester, Mfcd00048191, Methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate, 3d7z5o4uxa

Molecular Formula

C₁₁H₁₂ClNO₄

Molecular Weight

257.67 g/mol

InChI Key

OUEXNQRVYGYGIK-UHFFFAOYSA-N

FDA UNII

3D7Z5O4UXA

1 2D Structure

CAS 4093-31-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-acetamido-5-chloro-2-methoxybenzoate

2.1.2 InChI

InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)

2.1.3 InChI Key

OUEXNQRVYGYGIK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl

2.2 Other Identifiers

2.2.1 UNII

3D7Z5O4UXA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4093-31-6

2. Methyl 4-acetamido-5-chloro-o-anisate

3. Benzoic Acid, 4-(acetylamino)-5-chloro-2-methoxy-, Methyl Ester

4. Mfcd00048191

5. Methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate

6. 3d7z5o4uxa

7. Dtxsid6057740

8. Methyl 2-methoxy-4-acetamido-5-chlorobenzoate

9. Methyl 2-methoxy-4-acetylamino-5-chlorobenzoate

10. Methyl 4-acetylamino-5-chloro-2-methoxybenzoate

11. 4-acetamido-5-chloro-2-methoxybenzoic Acid Methyl Ester

12. Unii-3d7z5o4uxa

13. Einecs 223-840-1

14. Methyl 5-chloro-4-acetamido-2-methoxybenzoate

15. Ec 223-840-1

16. Oprea1_093629

17. Schembl130152

18. Chembl3561753

19. Dtxcid3031529

20. Bcp30994

21. Tox21_113842

22. Ac7971

23. Akos002952816

24. Ncgc00253723-01

25. Ac-14848

26. As-12356

27. Sy034797

28. Cas-4093-31-6

29. Db-049684

30. Cs-0128349

31. Ft-0617372

32. Methyl4-acetamido-5-chloro-2-methoxybenzoate

33. Methyl-4-acetamido-5-chloro-2-methoxybenzoate

34. Methyl 4-acetamido-5-chloro-2-methoxy-benzoate

35. Metoclopramide Impurity B [ep Impurity]

36. Sr-01000944779

37. Sr-01000944779-1

38. W-106329

39. Methyl 4-acetamido-5-chloro-2-methoxybenzoate, 99%

40. Q27257067

41. Methyl 4-(acetylamino)-5-chloro-2-(methyloxy)benzoate

42. Methyl-4-acetylamino-5-chloro-2-methoxybenzoate

43. 4-acetylamino-5-chloro-2-methoxy-benzoic Acid Methyl Ester

44. 2-methoxy-4-(acetylamino)-5-chlorobenzoic Acid Methyl Ester

45. 4-(n-acetylamino)-5-chloro-2-methoxybenzoic Acid, Methyl Ester

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂ClNO₄
Molecular Weight	257.67 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64.6
Heavy Atom Count	17
Formal Charge	0
Complexity	297
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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Sigmak Lifesciences

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Methyl -4- Acetamido – 5 – Chloro – 2 – Methoxy...

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CAS Number

4093-31-6

End Use API

Metoclopramide

About the Company

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutica...

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spectrum of intermediates, including advance intermediates, cGMP, & non-GMP intermediates. We represent GMP and WHO-certified manufacturers of APIs & advanced intermediates, offering Distribution & Agency services with rigorous selection processes & regular audits to guarantee top-quality products. Moreover, our global Strategic Sourcing capabilities provide high-quality ingredients & performance chemicals to the Pharmaceuticals & Specialty Chemical Industries.

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Meck Pharma

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Methyl 4-Acetamido 5- Chloro 2-Methoxy Benzoate (5-Chlo...

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CAS Number

4093-31-6

End Use API

Metoclopramide Hydrochloride

About the Company

Meck Pharmaceuticals and Chemicals Pvt. Ltd. is a leading manufacturer of Pharmaceutical Bulk Drugs, API'...

Meck Pharmaceuticals and Chemicals Pvt. Ltd. is a leading manufacturer of Pharmaceutical Bulk Drugs, API's, Intermediates, Nutraceuticals, and Specialty Chemicals. Meck has an ultra modern production plant at Sanand, near Ahmedabad, Gujarat on a sprawling 22000 Sq. mtrs Green field site. It is divided into many units facilitated with top personnel to drive the company forward. Its Pharma division is local state FDA approved in production facility for API and Nutraceutical Manufacturing. Meck has established its marketing and distributing branch, Meck Pharmachem LLC in New Jersey. USA.

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