Colistin sulfate (USP:JAN)
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;sulfuric acid
Also Known As: Colistin sulfate|Belcomycin|Colomycin syrup|Coly-Mycin S|Colimycin sulfate|Colistins sulfate|Colistin sulfat|Colistin, sulfate|Coly-Mycin|Polymyxin E sulfate|Colistin sulfate salt|Polymixin E Sulfate|Colistin sulfat [German]|Colistin, sulfate (salt)|Colistin sulfate [JAN]|Polymyxin E sulfate (salt)|Colistin sulfate, nonsterile|Colistin sulfate (USP:JAN)|Colistin sulfate [USP:JAN]|EINECS 215-034-3|Polymyxin E. Sulfate; Belcomycine; Colomycin;|Colistin Sulfate (Mixture of A and B compound)|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;sulfuric acid|N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-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-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-6-methyloctanamide; sulfuric acid|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; sulfuric acid|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-heptaazacyclotricosan-21-yl]amino}butan-2-yl]amino}-3-hydroxy-1-oxobutan-2-yl]amino}-1-oxobutan-2-yl]-6-methyloctanamide sulfate(1:1)
| Molecular Formula | C53H102N16O17S |
|---|---|
| Molecular Weight | 1266.7329 g/mol |
| LogP | -6.09 |
| Topological Polar Surface Area | 565.26 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 29 |
| Exact Mass | 1266.7329 |
| Heavy Atoms | 87 |
| Complexity | 2310.5 |
Chemical Identifiers
| CAS Number | 1264-72-8 |
|---|---|
| SMILES | CCC(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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O.OS(=O)(=O)O |
Product Overview
Colistin sulfate (USP:JAN) (CAS 1264-72-8), with molecular formula C53H102N16O17S and molecular weight 1266.7329 g/mol. 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-methyloctanamide;sulfuric acid.
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