CAS No.6150-97-6,magnesium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6150-97-6
Name:	magnesium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate

Formula:	C₂₆H₃₂MgN₆O₈S₂
Molecular Weight:	645.00
Synonyms:	Magnesium noramidopyrine methanesulfonate;Magnopyrol;Pyrazolonemagnesium;Dipyrone magnesium salt;Methanesulfonicacid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-,magnesium salt (9CI);Methanesulfonic acid,[(2,3-dimethyl-1-phenyl-5-oxo-3-pyrazolin-4-yl)methylamino]-, magnesium salt(8CI);
EINECS:	228-161-4
PSA:	191.50000
LogP:	3.00820

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Specification

The Methanesulfonic acid,1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-,magnesium salt is an organic compound with the formula C₂₆H₃₂MgN₆O₈S₂. The IUPAC name of this chemical is Magnesium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate. With the CAS registry number 6150-97-6, it is also named as Magnesium ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulphonate. Besides, its molecular weight is 645.00.

The physical properties of Methanesulfonic acid,1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-,magnesium salt are: (1)ACD/LogP: -0.74; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 89.54 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Mg+2].[O-]S(=O)(=O)CN(C=2C(=O)N(c1ccccc1)N(C=2C)C)C.[O-]S(=O)(=O)CN(C=2C(=O)N(c1ccccc1)N(C=2C)C)C
(2)InChI: InChI=1/2C13H17N3O4S.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
(3)InChIKey: NHMUJYOBLYTIKO-NUQVWONBAX
(4)Std. 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
(5)Std. InChIKey: NHMUJYOBLYTIKO-UHFFFAOYSA-L

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	8800mg/kg (8800mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 1160, 1962. Link to PubMed