Gallium N-[3-[5,17-Bis[3-(Acetyl-Oxidoamino)Propyl]-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Oxidoacetamide
[CAS# 39000-29-8]

Identification

• Name: Gallium N-[3-[5,17-Bis[3-(Acetyl-Oxidoamino)Propyl]-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Oxidoacetamide
• Synonyms: Gallium N-[3-[5,17-Bis[3-(Acetyl-Oxido-Amino)Propyl]-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Oxido-Acetamide; Gallium N-[3-[5,17-Bis[3-(Acetyl-Oxido-Amino)Propyl]-3,6,9,12,15,18-Hexaketo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Oxido-Acetamide; Gallium N-[3-[5,17-Bis[3-(Ethanoyl-Oxido-Amino)Propyl]-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Oxido-Ethanamide
• Molecular Formula: C₂₇H₄₂GaN₉O₁₂
• Molecular Weight: 754.40
• CAS Registry Number: 39000-29-8
• SMILES: [Ga+3].C(C1NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(NC1=O)CCCN([O-])C(=O)C)CCCN([O-])C(=O)C)CCN([O-])C(=O)C
• InChI: 1S/C27H42N9O12.Ga/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3
• InChIKey: PTVOLFPTQKGIHC-UHFFFAOYSA-N