3-[2-Methyl-1-[[2-[2-[2-(Oxidoamino)-2-Oxoethyl]Heptanoyl]Diazinane-3-Carbonyl]Amino]Butyl]-5,6,7,8-Tetrahydropyrazolo[2,1-a]Pyridazin-9-Ium-8-Carboxylic Acid
[CAS# 140667-42-1]

Identification

• Name: 3-[2-Methyl-1-[[2-[2-[2-(Oxidoamino)-2-Oxoethyl]Heptanoyl]Diazinane-3-Carbonyl]Amino]Butyl]-5,6,7,8-Tetrahydropyrazolo[2,1-a]Pyridazin-9-Ium-8-Carboxylic Acid
• Synonyms: 3-[2-Methyl-1-[[2-[2-[2-(Oxidoamino)-2-Oxo-Ethyl]Heptanoyl]Hexahydropyridazine-3-Carbonyl]Amino]Butyl]-5,6,7,8-Tetrahydropyrazolo[2,1-A]Pyridazin-9-Ium-8-Carboxylic Acid; 3-[2-Methyl-1-[[[2-[2-[2-(Oxidoamino)-2-Oxoethyl]-1-Oxoheptyl]-3-Hexahydropyridazinyl]-Oxomethyl]Amino]Butyl]-5,6,7,8-Tetrahydropyrazolo[2,1-A]Pyridazin-9-Ium-8-Carboxylic Acid; 3-[1-[[2-[2-[2-Keto-2-(Oxidoamino)Ethyl]Heptanoyl]Hexahydropyridazine-3-Carbonyl]Amino]-2-Methyl-Butyl]-5,6,7,8-Tetrahydropyrazolo[2,1-A]Pyridazin-9-Ium-8-Carboxylic Acid
• Molecular Formula: C₂₇H₄₄N₆O₆
• CAS Registry Number: 140667-42-1
• SMILES: C1=C([N]2[N+](=C1)C(CCC2)C(=O)O)C(NC(=O)C3N(NCCC3)C(=O)C(CC(=O)N[O-])CCCCC)C(CC)C
• InChI: 1S/C27H44N6O6/c1-4-6-7-10-19(17-23(34)30-39)26(36)33-21(11-8-14-28-33)25(35)29-24(18(3)5-2)20-13-16-32-22(27(37)38)12-9-15-31(20)32/h13,16,18-19,21-22,24,28H,4-12,14-15,17H2,1-3H3,(H3-,29,30,34,35,37,38,39)
• InChIKey: XRVWEWLMRRABGU-UHFFFAOYSA-N