Colistimethate sodium
Molecular Formula:
C57H103N16Na5O28S5
InChI: InChI=1/C57H108N16O28S5.5Na/c1-9-33(5)44-55(84)68-38(16-22-59-28-103(90,91)92)48(77)66-41(19-25-62-31-106(99,100)101)53(82)72-46(35(7)74)54(83)63-26-20-42(50(79)65-40(18-24-61-30-105(96,97)98)52(81)70-45(34(6)10-2)56(85)71-44)67-49(78)39(17-23-60-29-104(93,94)95)69-57(86)47(36(8)75)73-51(80)37(15-21-58-27-102(87,88)89)64-43(76)14-12-11-13-32(3)4;;;;;/h32-42,44-47,58-62,74-75H,9-31H2,1-8H3,(H,63,83)(H,64,76)(H,65,79)(H,66,77)(H,67,78)(H,68,84)(H,69,86)(H,70,81)(H,71,85)(H,72,82)(H,73,80)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101);;;;;/q;5*+1/p-5/fC57H103N16O28S5.5Na/h63-73H;;;;;/q-5;5m
InChIKey: InChIKey=LYQBWQQPMNCRCJ-JXTHYBEACQ
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCNCS(=O)(=O)[O-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)CCCCC(C)C)C(C)O)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)CC.[Na+].[Na+].[Na+].[Na+].[Na+]
Names:
Colistimethate sodium
pentasodium [[3-[[1-[[1-[[12,15-dibutan-2-yl-3-(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]-3-(sulfonatomethylamino)propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-(6-methylheptanoylamino)propyl]amino]methanesulfonate
[Brit.J.Pharmacol.Chemother. 23:552 (1964)]
Registries:
PubChem CID 5702027
PubChem ID 8149270
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