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
Human Metabolome Database
HMDB0015243
KEGG Drug
D02049
KEGG Compound
C13553
PubChem Compound
216259
ChemSpider
187456
ChEBI
34650
PharmGKB
PA164749509
Wikipedia
Colistin
Predicted Properties
PropertyValueSource
Water Solubility4.11 mg/mLALOGPS
logP-1ALOGPS
logP-17Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)-4.3Chemaxon
pKa (Strongest Basic)7.06Chemaxon
Physiological Charge-3Chemaxon
Hydrogen Acceptor Count33Chemaxon
Hydrogen Donor Count18Chemaxon
Polar Surface Area706.71 Å2Chemaxon
Rotatable Bond Count44Chemaxon
Refractivity370.19 m3·mol-1Chemaxon
Polarizability160.52 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon