Chemical Compound

Colistimethate

CAS Registry Number 12705-41-8
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Colistimethate chemical structure
Primary Record

Colistimethate

In stock
8,981 g
Purity
98.8 %
CAS
12705-41-8

Compound Identifiers & Properties

CAS
12705-41-8
PubChem CID
162394283
SMILES
CCC(C)CCCCC(=NC(CCNCS(=O)(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)O)C(=NC1CCNC(=O)C(NC(=O)C(N=C(C(NC(=O)C(NC(=O)C(N=C(C(N=C1[O-])CCNCS(=O)(=O)O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)O)[O-])CCNCS(=O)(=O)O)C(C)O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
Canonical SMILES
CCC(C)CCCCC([O-])=NC(CCNCS(=O)(=O)O)C(=O)NC(C(=O)NC(CCNCS(=O)(=O)O)C([O-])=NC1CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)O)N=C([O-])C(CCNCS(=O)(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)N=C([O-])C(CCNCS(=O)(=O)O)N=C1[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+]

Names & Synonyms

  • Colistimethate
  • IQWHCHZFYPIVRV-UHFFFAOYSA-I
  • C58H105N16Na5O28S5
  • MFCD00130824
  • 12705-41-8
  • 8068-28-8
  • pentasodium;[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfonatomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfonatomethylamino)butanoyl]amino]-5,8-diisobutyl-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonate