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Mycophenolate Sodium

Synopsis, Chemistry

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TABLET, DELAYED RELEASE;ORAL - EQ 360MG BASE

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Also known as: 37415-62-6, Sodium mycophenolate, Mycophenolic acid sodium salt, Mycophenolic acid monosodium salt, Erl 080, Mycophenolate sodium [usan]

Molecular Formula

C₁₇H₁₉NaO₆

Molecular Weight

342.3 g/mol

InChI Key

DOZYTHNHLLSNIK-JOKMOOFLSA-M

FDA UNII

WX877SQI1G

Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.

1 2D Structure

Mycophenolate Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

2.1.2 InChI

InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;

2.1.3 InChI Key

DOZYTHNHLLSNIK-JOKMOOFLSA-M

2.1.4 Canonical SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)[O-])O.[Na+]

2.1.5 Isomeric SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)[O-])O.[Na+]

2.2 Other Identifiers

2.2.1 UNII

WX877SQI1G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cellcept

2. Mofetil Hydrochloride, Mycophenolate

3. Mofetil, Mycophenolate

4. Mycophenolate Mofetil

5. Mycophenolate Mofetil Hydrochloride

6. Mycophenolate, Sodium

7. Mycophenolic Acid

8. Mycophenolic Acid Morpholinoethyl Ester

9. Myfortic

10. Rs 61443

11. Rs-61443

12. Rs61443

13. Sodium Mycophenolate

2.3.2 Depositor-Supplied Synonyms

1. 37415-62-6

2. Sodium Mycophenolate

3. Mycophenolic Acid Sodium Salt

4. Mycophenolic Acid Monosodium Salt

5. Erl 080

6. Mycophenolate Sodium [usan]

7. Sodium Mycophenalate

8. Erl-080

9. Mycophenolic Acid, Sodium Salt

10. Wx877sqi1g

11. Chebi:67155

12. Sodium;(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoate

13. Nsc-116072

14. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, Sodium Salt(1:1) , (4e)-

15. Mycophenolic Acid (sodium)

16. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, Monosodium Salt, (4e)-

17. Sodium 4(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

18. Sodium (e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

19. Unii-wx877sqi1g

20. Nsc 116072

21. Femulan

22. Erl 080a

23. Mycophenolic Sod

24. Myfortic (tn)

25. Ec-mps

26. Starbld0043375

27. Mycophenolatesodium

28. Mycophenolate Sodium (usp)

29. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, Monosodium Salt, (e)-

30. Erl-080a

31. Schembl1649229

32. Chembl2106643

33. Hy-b0421a

34. Mycophenolate Sodium [vandf]

35. Mycophenolate Sodium [mart.]

36. Mycophenolate Sodium [usp-rs]

37. Mycophenolate Sodium [who-dd]

38. Akos015969286

39. 4-hexenoic Acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, Sodium Salt

40. As-17786

41. Mycophenolate Sodium [ep Monograph]

42. Mycophenolic Acid Sodium Salt [mi]

43. Mycophenolate Sodium [usp Monograph]

44. Cs-0103129

45. D05095

46. D93087

47. Q27135653

48. Sodium (4e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate

49. Sodium;(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoic Acid

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉NaO₆
Molecular Weight	342.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	342.10793260 g/mol
Monoisotopic Mass	342.10793260 g/mol
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	492
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antibiotics, Antineoplastic

Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)

Antibiotics, Antitubercular

Substances obtained from various species of microorganisms that are, alone or in combination with other agents, of use in treating various forms of tuberculosis; most of these agents are merely bacteriostatic, induce resistance in the organisms, and may be toxic. (See all compounds classified as Antibiotics, Antitubercular.)

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

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