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Product Overview

Product Code

TRC-C641515

CAS Number

1338055-88-1

Product Format

Neat

Molecular Formula

C52 H98 N16 O13 . H2 O4 S

Molecular Weight

1253.51

API Family

Colistin Sulfate, Colistin B

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity, Bioactive Small Molecule

Alternate CAS Number

Free base: 7239-48-7

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Colistin B sulfate salt

CAS Number

1338055-88-1

Molecular Formula

C52 H98 N16 O13 . H2 O4 S

Molecular Weight

1253.51

Accurate Mass

1252.7173

SMILES

CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.OS(=O)(=O)O

InChI

InChI=1S/C52H98N16O13.H2O4S/c1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75;1-5(2,3)4/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76);(H2,1,2,3,4)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+;/m1./s1

IUPAC

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-methylheptanamide;sulfuric acid

Alternate CAS Number

Free base: 7239-48-7

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Colistin Sulfate; Colistin B

Purity

>95% (HPLC)

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Product Overview

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Chemical Data

Product Data

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Colistin B Sulfate Salt (~90%)

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