Metamizole Magnesium

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Also known as: 6150-97-6, Dopirol, Ms15642725, Magnesium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate, Piraken, Methanesulfonic acid, ((2,3-dimethyl-1-phenyl-5-oxo-3-pyrazolin-4-yl)methylamino)-, magnesium salt

Molecular Formula

C₂₆H₃₂MgN₆O₈S₂

Molecular Weight

645.0 g/mol

InChI Key

NHMUJYOBLYTIKO-UHFFFAOYSA-L

FDA UNII

MS15642725

1 2D Structure

Metamizole Magnesium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate

2.1.2 InChI

InChI=1S/2C13H17N3O4S.Mg/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h2*4-8H,9H2,1-3H3,(H,18,19,20);/q;;+2/p-2

2.1.3 InChI Key

NHMUJYOBLYTIKO-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Mg+2]

2.2 Other Identifiers

2.2.1 UNII

MS15642725

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Magnesium, Bis(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino)methanesulfonato)-

2. Metamizole Magnesium

3. Nolotil

2.3.2 Depositor-Supplied Synonyms

1. 6150-97-6

2. Dopirol

3. Ms15642725

4. Magnesium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate

5. Piraken

6. Methanesulfonic Acid, ((2,3-dimethyl-1-phenyl-5-oxo-3-pyrazolin-4-yl)methylamino)-, Magnesium Salt

7. Dipyrone Magnesium Salt

8. Magnopyrol

9. Algovant

10. Gewalgin

11. Terapirol

12. Magnopyrol (tn)

13. Pyrazolone Magnesium

14. Dipyrone Magunesium Salt

15. Dipyrone Magnesium

16. Unii-ms15642725

17. Einecs 228-161-4

18. Dipyrone Magnesium Salt [mi]

19. Metamizole Magnesium [who-dd]

20. Akos037515509

21. Ft-0628259

22. D08189

23. W-104914

24. W-105146

25. ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino)methanesulfonic Acid Magnesium Salt

26. Methanesulfonic Acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino)-, Magnesium Salt

27. Methanesulfonic Acid, 1-((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino)-, Magnesium Salt (2:1)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₂MgN₆O₈S₂
Molecular Weight	645.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	644.1573460 g/mol
Monoisotopic Mass	644.1573460 g/mol
Topological Polar Surface Area	185 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	533
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	3