Colistimethate sodiumProduct ingredient for Colistimethate
- Name
- Colistimethate sodium
- Drug Entry
- Colistimethate
Colistimethate is an antibiotic that has been shown to have bactericidal activity against aerobic gram-negative microorganisms. Colistimethate is particularly indicated when the infection is caused by sensitive strains of Pseudomonas aeruginosa.
- Accession Number
- DBSALT000415
- Structure
- Synonyms
- Colistimetato de sodio / Colistin methanesulfonate sodium / Colistin sodium methanesulfonate / Colistin sodium methanesulphonate / Pentasodium colistinmethanesulfonate / Pentasodium colistinmethanesulphonate / Sodium colistimethate
- External IDs
- W 1929 / W-1929
- UNII
- XW0E5YS77G
- CAS Number
- 8068-28-8
- Weight
- Average: 1749.81
Monoisotopic: 1748.53762408 - Chemical Formula
- C58H105N16Na5O28S5
- InChI Key
- IQWHCHZFYPIVRV-UHFFFAOYSA-I
- InChI
- InChI=1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5
- IUPAC Name
- pentasodium [(3-{3-hydroxy-2-[2-(6-methyloctanamido)-4-[(sulfonatomethyl)amino]butanamido]butanamido}-3-{[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris({2-[(sulfonatomethyl)amino]ethyl})-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)amino]methanesulfonate
- SMILES
- [Na+].[Na+].[Na+].[Na+].[Na+].CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(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
- External Links
- Human Metabolome Database
- HMDB0015243
- KEGG Drug
- D02049
- KEGG Compound
- C13553
- PubChem Compound
- 216259
- ChemSpider
- 187456
- ChEBI
- 34650
- PharmGKB
- PA164749509
- Wikipedia
- Colistin
- Predicted Properties
Property Value Source Water Solubility 4.11 mg/mL ALOGPS logP -1 ALOGPS logP -17 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) -4.3 Chemaxon pKa (Strongest Basic) 7.06 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 33 Chemaxon Hydrogen Donor Count 18 Chemaxon Polar Surface Area 706.71 Å2 Chemaxon Rotatable Bond Count 44 Chemaxon Refractivity 370.19 m3·mol-1 Chemaxon Polarizability 160.52 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon