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Chemistry

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Also known as: 5026-62-0, Sodium 4-(methoxycarbonyl)phenolate, Sodium methylparaben, Preserval ms, Methyl 4-hydroxybenzoate, sodium salt, Sodium methyl paraben

Molecular Formula

C₈H₇NaO₃

Molecular Weight

174.13 g/mol

InChI Key

PESXGULMKCKJCC-UHFFFAOYSA-M

FDA UNII

CR6K9C2NHK

1 2D Structure

Sodium Methylparaben

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;4-methoxycarbonylphenolate

2.1.2 InChI

InChI=1S/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1

2.1.3 InChI Key

PESXGULMKCKJCC-UHFFFAOYSA-M

2.1.4 Canonical SMILES

COC(=O)C1=CC=C(C=C1)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

CR6K9C2NHK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-hydroxybenzoic Acid Methyl Ester

2. Methyl P-hydroxybenzoate

3. Methyl-4-hydroxybenzoate

4. Methylparaben

5. Methylparaben, Sodium Salt

6. Nipagin

2.3.2 Depositor-Supplied Synonyms

1. 5026-62-0

2. Sodium 4-(methoxycarbonyl)phenolate

3. Sodium Methylparaben

4. Preserval Ms

5. Methyl 4-hydroxybenzoate, Sodium Salt

6. Sodium Methyl Paraben

7. Methyl 4-hydroxybenzoate Sodium Salt

8. Sodium 4-carbomethoxyphenolate

9. Paratexin Ms

10. Paridol Mna

11. Sodium;4-methoxycarbonylphenolate

12. Nipagin M Sodium

13. Solbrol M Sodium Salt

14. Sodium Methyl Parahydroxybenzoate

15. Cr6k9c2nhk

16. Sodium Methyl P-hydroxybenzoate

17. Ns 3500s

18. Solparol

19. Bonomold Omna

20. Methylparaben Sodium [usan]

21. Sodium Methyl 4-hydroxybenzoate

22. Sodium P-methoxycarbonylphenoxide

23. Methylis Parahydroxybenzoas Natricum

24. Einecs 225-714-1

25. Unii-cr6k9c2nhk

26. Methyl P-hydroxybenzoate, Sodium Salt

27. Methylparaben, Sodium Salt

28. Methyl P-hydroxybenzoate Sodium

29. Methylparaben Sodium [usan:nf]

30. Mfcd00016470

31. Sodium, (p-carboxyphenoxy)-, Methyl Ester

32. Methylparaben Sodium (nf)

33. Ec 225-714-1

34. Sodium 4carbomethoxyphenolate

35. Sodium Methyl Hydroxybenzoate

36. Schembl48756

37. Chembl2106903

38. Dtxsid1042156

39. Methylparaben Sodium [ii]

40. Sodium Methylparaben [inci]

41. Akos015961950

42. Cs-w017522

43. 4-hydroxybenzoic Acid-methyl Ester Sodium

44. Ac-15527

45. As-14805

46. Ft-0635516

47. Sodium Methyl Hydroxybenzoate [mart.]

48. D02458

49. Sodium Methyl P-hydroxybenzoate ( E 219)

50. Q-201383

51. Q3963920

52. Sodium Methyl Parahydroxybenzoate [ep Monograph]

53. Benzoic Acid, P-hydroxy-, Methyl Ester, Sodium Deriv.

54. Methyl 4-hydroxybenzoate Sodium Salt, Tested According To Ph.eur.

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₈H₇NaO₃
Molecular Weight	174.13 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	174.02928836 g/mol
Monoisotopic Mass	174.02928836 g/mol
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141
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	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Preservatives, Pharmaceutical

Substances added to pharmaceutical preparations to protect them from chemical change or microbial action. They include ANTI-BACTERIAL AGENTS and antioxidants. (See all compounds classified as Preservatives, Pharmaceutical.)

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