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Also known as: 129-18-0, Sodium 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide, Sodium phenylbutazone, Mfcd01749404, 4-butyl-1,2-diphenyl-3,5-pyrazolidinedione sodium salt, 189m850i32

Molecular Formula

C₁₉H₁₉N₂NaO₂

Molecular Weight

330.4 g/mol

InChI Key

VYOUHDLOIRJOSW-UHFFFAOYSA-N

FDA UNII

189M850I32

1 2D Structure

Sodium Butazolidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione

2.1.2 InChI

InChI=1S/C19H19N2O2.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;/q-1;+1

2.1.3 InChI Key

VYOUHDLOIRJOSW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC[C-]1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

2.2 Other Identifiers

2.2.1 UNII

189M850I32

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 129-18-0

2. Sodium 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide

3. Sodium Phenylbutazone

4. Mfcd01749404

5. 4-butyl-1,2-diphenyl-3,5-pyrazolidinedione Sodium Salt

6. 189m850i32

7. 3,5-pyrazolidinedione, 4-butyl-1,2-diphenyl-, Ion(1-), Sodium (1:1)

8. Butazolidine Sodium

9. Ambene (tn)

10. Gp26872

11. Diphenyldioxobutylpyrazolidine-butazolidine-sodium

12. Sodium Salt Of Phenylbutazone

13. Dtxsid70926268

14. Unii-189m850i32

15. Einecs 204-935-7

16. Phenylbutazone Sodium [mart.]

17. Phenylbutazone Sodium [who-dd]

18. Phenylbutazone Sodium Salt [mi]

19. As-72188

20. Sy068959

21. Cs-0160891

22. Ft-0689452

23. D08364

24. D94476

25. Sodium 4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-olate

26. 3,5-dioxo-1,2-diphenyl-4-n-butylpyrazolidin Sodium

27. Q27251987

28. Sodium;4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione

29. 4-butyl-1,2-diphenylpyrazolidine-3,5-dione, Sodium Salt

30. 3,5-pyrazolidinedione, 4-butyl-1,2-diphenyl-, Monosodium Salt

31. Sodium4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide

2.4 Create Date

2010-07-01

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₉N₂NaO₂
Molecular Weight	330.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	330.13442214 g/mol
Monoisotopic Mass	330.13442214 g/mol
Topological Polar Surface Area	40.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	395
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