Colistin A Sulfate Hydrate (~90%)

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Analyte Name

Colistin A Sulfate Hydrate

Molecular Formula

C53H100O13N16 .xH2SO4 .xH2O

Molecular Weight

1169.46

SMILES

N(C([C@@H](NC([C@@H](NC([C@@H](NC(CCCC[C@H](CC)C)=O)CCN)=O)[C@@H](C)O)=O)CCN)=O)[C@@H]1C(=O)N[C@@H](CCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@]([C@@H](C)O)(C(=O)NCC1)[H]

InChI

InChi=1S/C53H100N16O13/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/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)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,42-,43-/m0/s1

IUPAC

(6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide

Alternate CAS Number

Free Base: 7722-44-3

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Colistin Sulfate; Colistin A Sulfate Hydrate

Purity

>95% (HPLC)