Colistimethate Sodium
6-methyl-N-[2-[(2S,5S,8S,11S,14S,17S,20S,23S)-8,11,14,20-tetrakis(2-aminoethyl)-5-[(1R)-1-hydroxyethyl]-17,23-bis(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]ethyl]octanamide
Molecular Identity
Colistimethate Sodium
6-methyl-N-[2-[(2S,5S,8S,11S,14S,17S,20S,23S)-8,11,14,20-tetrakis(2-aminoethyl)-5-[(1R)-1-hydroxyethyl]-17,23-bis(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]ethyl]octanamide
PubChem CID: 44585614
2D Structure
Properties
C45H85N13O10
Molecular Formula
968.20
Molecular Weight
g/mol
967.6542
Exact Mass
Da
-0.7
XLogP
Drug-like (Lipinski: < 5)
386
TPSA
May have limited oral absorption
14
H-Bond Donors
14
H-Bond Acceptors
1640
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)CCCCC(=O)NCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCN)CC(C)C)CCN)CCN)CCN)C(C)OIsomeric SMILES
SMILES: CCC(C)CCCCC(=O)NCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCN)CC(C)C)CCN)CCN)CCN)[C@@H](C)OSynonyms(20)
colistin methane sulfonateColimycineMethacolimycinAlficetinDTXSID6045822Colifin 1 miuColifin 2 miusodio colistimetatocolistimethate sodiquecolistimetato de sodiocolistimethatum natricumRefChem:54883First Guard Sterile PowderCHEBI:34650W-1929
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Colistimethate Sodium
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