Polymyxin B Nonapeptide Hydrochloride
[CAS# 86408-36-8]

Identification

• Name: Polymyxin B Nonapeptide Hydrochloride
• Synonyms: PMBN; Polymyxin B cyclononapeptide; Polymyxin B nonapeptide
• Molecular Formula: C₄₃H₇₄N₁₄O₁₁
• Molecular Weight: 963.13
• CAS Registry Number: 86408-36-8
• SMILES: C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)N)O
• InChI: 1S/C43H74N14O11/c1-22(2)20-31-40(65)52-26(10-15-44)35(60)51-29(13-18-47)39(64)57-34(24(4)59)43(68)49-19-14-30(53-36(61)28(12-17-46)54-42(67)33(48)23(3)58)38(63)50-27(11-16-45)37(62)56-32(41(66)55-31)21-25-8-6-5-7-9-25/h5-9,22-24,26-34,58-59H,10-21,44-48H2,1-4H3,(H,49,68)(H,50,63)(H,51,60)(H,52,65)(H,53,61)(H,54,67)(H,55,66)(H,56,62)(H,57,64)/t23-,24-,26+,27+,28+,29+,30+,31+,32-,33+,34+/m1/s1
• InChIKey: PYHYGIPVYYRJHU-QWDNBKTCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1456.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 834.5±34.3°C (Cal.)