Colistinmethanesulfonic acid
Basic information
- CAS
12705-41-8- Standard 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-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS(=O)(=O)[O-])NC1=O)C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
IQWHCHZFYPIVRV-UHFFFAOYSA-I- Molecular formula
- C58H105N16Na5O28S5
- Average molar mass
- 1,749.8 g/mol
- Monoisotopic mass
- 1,748.537624
Names & identifiers
- Preferred name
- Colistinmethanesulfonic acid
- IUPAC
- 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-bis(2-methylpropyl)-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
- English name
- colistimethate
- Molecular weight
- 0
Names & synonyms
Colistinmethanesulfonic acidRefChem:918924Colimycin M8068-37-9Colistrimethate sodiumColymycin MColy-mycin injectableColy-Mycin M ParenteralColistinemethanesulfonate sodiquepentasodium;[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfonatomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfonatomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-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]methanesulfonateEINECS 232-516-9UNII-XW0E5YS77G
Show more names
colistimethateCOLISTIMETHATE SODIUM12705-41-8
Colistinmethanesulfonic acid, sodium saltColistimethate sodium [USAN:USP:INN:BAN]UNII-DL2R53P963SCHEMBL15873843Colistinmethanesulfonic acid (VAN)EBC-27582AC30550NSC 756688
Properties
Computed structural properties
- Topological polar surface area
- 749 Ų
- Hydrogen bond donors
- 18
- Hydrogen bond acceptors
- 33
- Rotatable bonds
- 39
- Heavy atoms
- 112
- Formal charge
- 0
- Complexity
- 3,430
Experimental & physicochemical properties
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antibacterial Agents; Polymyxins
Physicochemical properties
- FDA 21 CFR
- 556.167 · 556.167
- FDA UNII
- 2 R53P963 · DL2R53P963
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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