Calcium [(1,5-Dimethyl-3-Oxo-2-Phenylpyrazol-4-Yl)Methylamino]Methanesulfonate
[CAS# 51996-59-9]

Identification

• Name: Calcium [(1,5-Dimethyl-3-Oxo-2-Phenylpyrazol-4-Yl)Methylamino]Methanesulfonate
• Synonyms: Calcium [(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)Methylamino]Methanesulfonate; Calcium [(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)Methylamino]Methanesulfonate; Calcium [(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)Methylamino]Methanesulfonate
• Molecular Formula: C₂₆H₃₂CaN₆O₈S₂
• Molecular Weight: 660.77
• CAS Registry Number: 51996-59-9
• EINECS: 257-592-0
• SMILES: C2=C(N1N(C(=C(C1=O)CNC[S]([O-])(=O)=O)C)C)C=CC=C2.C(NC[S]([O-])(=O)=O)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Ca++]
• InChI: 1S/2C13H17N3O4S.Ca/c2*1-10-12(8-14-9-21(18,19)20)13(17)16(15(10)2)11-6-4-3-5-7-11;/h2*3-7,14H,8-9H2,1-2H3,(H,18,19,20);/q;;+2/p-2
• InChIKey: BBUFFKMKXSRSJH-UHFFFAOYSA-L