Ademetionine

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

3 API Suppliers, 1 USDMF, 1 KDMF, 2 Listed Suppliers

PRICE INFORMATION

API Reference Price, API Exports, API Imports

DOSSIERs // Finished Dosage Formulations

12 Dossiers, 10 Europe, 2 Listed Dossiers

GLOBAL SALES INFORMATION

8 Finished Drug Prices

8 Finished Drug Prices

MARKET PLACE

13 APIs, 9 DOSSIERS // FDF, 1 CONTRACT SERVICES

REF. STANDARDS & IMPURITIES

1 USP, 1 Others

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

EU WC

Listed Suppliers

API REF. PRICE (USD / KG)

360

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: S-adenosylmethionine, Ademetionine, Adomet, 485-80-3, Donamet, S-adenosyl methionine

Molecular Formula

C₁₅H₂₃N₆O₅S+

Molecular Weight

399.4 g/mol

InChI Key

MEFKEPWMEQBLKI-AIRLBKTGSA-O

Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed)

1 2D Structure

Ademetionine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

2.1.2 InChI

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1

2.1.3 InChI Key

MEFKEPWMEQBLKI-AIRLBKTGSA-O

2.1.4 Canonical SMILES

C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O

2.1.5 Isomeric SMILES

C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ademetionine

2. Adomet

3. Fo 1561

4. Fo-1561

5. Fo1561

6. Gumbaral

7. S Adenosyl L Methionine

8. S Adenosylmethionine

9. S Adenosylmethionine Sulfate Tosylate

10. S Amet

11. S-adenosylmethionine

12. S-adenosylmethionine Sulfate Tosylate

13. Sam-e

14. Samyr

2.2.2 Depositor-Supplied Synonyms

1. S-adenosylmethionine

2. Ademetionine

3. Adomet

4. 485-80-3

5. Donamet

6. S-adenosyl Methionine

7. Adenosylmethionine

8. Chebi:15414

9. Active Methionine

10. Chembl224120

11. Methionine, S-adenosyl-

12. (r)-s-adenosyl-l-methionine

13. (s)-s-adenosyl-l-methionine

14. S-(5'-deoxyadenosin-5'-yl)-l-methionine

15. Adenosine, 5'-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-

16. S-adenosyl-methionine

17. (s,s)-adomet

18. [(3s)-3-amino-3-carboxypropyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

19. S-(5'-adenosyl)-l-methionine

20. 2-s-adenosyl-l-methionine

21. Sam

22. Ncgc00167546-02

23. S-adenosyl-l-methionine Disulphate Tosylate

24. Ademethionine

25. Adome

26. Adenosine, 5'-((l-3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, Hydroxide, Inner Salt

27. Bmse000059

28. Schembl25177

29. Schembl59293

30. Schembl599664

31. Gtpl4786

32. Chebi:33440

33. Chebi:33442

34. Dtxsid20110014

35. S-(5'-adenosyl)methionine-s-ium

36. Zinc4214738

37. Zinc4228231

38. Bdbm50513996

39. Akos025310126

40. Am84912

41. Ncgc00167546-01

42. S-adenosylmethionine (protonated Carboxy Group)

43. Q27115647

44. Q27115649

45. Q56071634

46. 5'-deoxyadenosine-5'-l-methionine Disulfate Ditosylate

47. 5'-deoxyadenosine-5'-l-methionine Disulphate Ditosylate

48. (3s)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine

49. [(3s)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium

50. 5'-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-adenosine

51. (3s)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, Inner Salt

52. (r)-[(3s)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium

53. (s)-[(3s)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium

54. [(3r)-3-amino-3-carboxypropyl]({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

55. [(3s)-3-amino-3-carboxypropyl]({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

56. [1-(adenin-9-yl)-1,5-dideoxy-beta-d-ribofuranos-5-yl][(3s)-3-amino-3-carboxypropyl](methyl)sulfonium

57. 5 Inverted Exclamation Marka-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5 Inverted Exclamation Marka-deoxyadenosine

58. 5invertedexclamationmarka-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5invertedexclamationmarka-deoxyadenosine

2.3 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₃N₆O₅S+
Molecular Weight	399.4 g/mol
XLogP3	-3.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	399.14506403 g/mol
Monoisotopic Mass	399.14506403 g/mol
Topological Polar Surface Area	184 Å²
Heavy Atom Count	27
Formal Charge	1
Complexity	533
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1