Colistin Sulfate (Mixture of A and B compound)

Colistin Sulfate (Mixture of A and B compound)

• Synonyms: Polymyxin E. Sulfate; Belcomycine; Colomycin;
• CAS Number: 1264-72-8
• Hazard Statement: Toxic if swallowed; UN number: UN2811; Packing Group: III
• Purity: >95% (HPLC)
• Smiles: OS(O)(=O)=O.[H][C@]([C@H](O)C)(C(N[C@H](C(N[C@H]1CCNC([C@@](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC1=O)CCN)=O)CC(C)C)=O)CC(C)C)=O)CCN)=O)CCN)=O)([C@H](O)C)[H])=O)=O)CCN)=O)NC([C@@H](NC(CCCCC(CC)C)=O)CCN)=O
• Molecular Formula: Compound A: C53H100N16O13 . (H2SO4) Compound B: C 52H98N16O13 . (H2SO4)
• Molecular Weight: 1169.46
• InChI: InChI=1S/C53H100N16O13.H2O4S/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76;1-5(2,3)4/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77);(H2,1,2,3,4)/t30?,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+;/m1./s1
• Additionnal Information: IUPAC name: N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-((R)-1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C