Dibupyrone
[CAS# 1046-17-9]

Identification

• Name: Dibupyrone
• Synonyms: Sodium [(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-Isobutyl-Amino]Methanesulfonate; Sodium [(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)-Isobutylamino]Methanesulfonate; Sodium [Isobutyl-(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)Amino]Methanesulfonate
• Molecular Formula: C₁₆H₂₂N₃NaO₄S
• Molecular Weight: 375.42
• CAS Registry Number: 1046-17-9
• SMILES: C1=CC=CC=C1N2C(C(=C(N2C)C)N(C[S](=O)(=O)[O-])CC(C)C)=O.[Na+]
• InChI: 1S/C16H23N3O4S.Na/c1-12(2)10-18(11-24(21,22)23)15-13(3)17(4)19(16(15)20)14-8-6-5-7-9-14;/h5-9,12H,10-11H2,1-4H3,(H,21,22,23);/q;+1/p-1
• InChIKey: CGTMEHPODKVIII-UHFFFAOYSA-M