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Chemistry

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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

Metamizole Magnesium
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 Weight 645.0 g/mol
Molecular Formula C26H32MgN6O8S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass644.1573460 g/mol
Monoisotopic Mass644.1573460 g/mol
Topological Polar Surface Area185 Ų
Heavy Atom Count43
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

API Reference Price

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17-Jun-2021
07-Mar-2024
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