Polymyxin B sulfateProduct ingredient for Polymyxin B
- Name
- Polymyxin B sulfate
- Drug Entry
- Polymyxin B
Polymyxin B was discovered in the 1940s5. They are basic polypeptides of about eight amino acids and have cationic detergent action on cell membranes4. Polymyxin B is used for infections with gram-negative organisms, but may be neurotoxic and nephrotoxic4,Label. All gram-positive bacteria, fungi, and the gram-negative cocci, are resistant4. It is appropriate for treatment of infections of the urinary tract, meninges, and blood stream, caused by susceptible strains of Pseudomonas aeruginosaLabel. Polymyxin B has a narrow therapeutic index and so its use is limited and unlikely to be used first line5.
- Accession Number
- DBSALT002841 (DB14742)
- Structure
Structure for Polymyxin B sulfate (DBSALT002841)
- Synonyms
- Polymixin B sulfate / Polymixin B, sulfate / Polymixin B, sulphate / Polymyxin B sulphate
- UNII
- 19371312D4
- CAS Number
- 1405-20-5
- Weight
- Average: 1301.57
Monoisotopic: 1300.717306998 - Chemical Formula
- C56H100N16O17S
- InChI Key
- HFMDLUQUEXNBOP-OLYKAHIFSA-N
- InChI
- InChI=1S/C56H98N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);(H2,1,2,3,4)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+;/m1./s1
- IUPAC Name
- N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-6-methyloctanamide; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)[C@@H](C)O)[C@@H](C)O
- External Links
- Human Metabolome Database
- HMDB0014919
- KEGG Drug
- D01066
- KEGG Compound
- C11613
- PubChem Compound
- 4868
- PubChem Substance
- 46507302
- ChemSpider
- 25049327
- ChEMBL
- CHEMBL1200626
- Therapeutic Targets Database
- DAP001323
- PharmGKB
- PA451027
- RxList
- RxList Drug Page
- Drugs.com
- Drugs.com Drug Page
- Wikipedia
- Polymyxin_B
- Predicted Properties
Property Value Source Water Solubility 0.0744 mg/mL ALOGPS logP -0.89 ALOGPS logP -7.2 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 11.57 Chemaxon pKa (Strongest Basic) 10.23 Chemaxon Physiological Charge 5 Chemaxon Hydrogen Acceptor Count 18 Chemaxon Hydrogen Donor Count 18 Chemaxon Polar Surface Area 490.66 Å2 Chemaxon Rotatable Bond Count 29 Chemaxon Refractivity 313.22 m3·mol-1 Chemaxon Polarizability 127.49 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon