Polymyxin D
[CAS# 10072-50-1]

Identification

• Name: Polymyxin D
• Synonyms: N-[3-Amino-1-[[2-Hydroxy-1-[[1-(Hydroxymethyl)-2-Oxo-2-[[6,9,18-Tris(2-Aminoethyl)-3,12-Bis(1-Hydroxyethyl)-15-Isobutyl-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Amino]Ethyl]Carbamoyl]Propyl]Carbamoyl]Propyl]-6-Methyl-Octanamide; N-[3-Amino-1-[[[2-Hydroxy-1-[[[1-(Hydroxymethyl)-2-Oxo-2-[[6,9,18-Tris(2-Aminoethyl)-3,12-Bis(1-Hydroxyethyl)-15-Isobutyl-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Amino]Ethyl]Amino]-Oxomethyl]Propyl]Amino]-Oxomethyl]Propyl]-6-Methyloctanamide; N-[3-Amino-1-[[2-Hydroxy-1-[[2-Keto-1-Methylol-2-[[6,9,18-Tris(2-Aminoethyl)-3,12-Bis(1-Hydroxyethyl)-15-Isobutyl-2,5,8,11,14,17,20-Heptaketo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Amino]Ethyl]Carbamoyl]Propyl]Carbamoyl]Propyl]-6-Methyl-Caprylamide
• Molecular Formula: C₅₀H₉₃N₁₅O₁₅
• Molecular Weight: 1144.38
• CAS Registry Number: 10072-50-1
• SMILES: C(C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC(CC)C)CCN)C(O)C)CO)CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(O)C)CCN)CCN)C(O)C)CCN)C(C)C
• InChI: 1S/C50H93N15O15/c1-8-26(4)11-9-10-12-37(70)56-30(13-18-51)44(74)64-40(29(7)69)50(80)62-36(24-66)47(77)59-34-17-22-55-48(78)38(27(5)67)63-45(75)33(16-21-54)58-41(71)32(15-20-53)60-49(79)39(28(6)68)65-46(76)35(23-25(2)3)61-42(72)31(14-19-52)57-43(34)73/h25-36,38-40,66-69H,8-24,51-54H2,1-7H3,(H,55,78)(H,56,70)(H,57,73)(H,58,71)(H,59,77)(H,60,79)(H,61,72)(H,62,80)(H,63,75)(H,64,74)(H,65,76)
• InChIKey: ZVVRUVGEGUZQHF-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 1581.332°C at 760 mmHg (Cal.)
• Flash point: 910.156°C (Cal.)