Colistin sulfateProduct ingredient for Colistin
- Name
- Colistin sulfate
- Drug Entry
- Colistin
Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally.
- Accession Number
- DBSALT000691
- Structure
Structure for Colistin sulfate (DBSALT000691)
- Synonyms
- Colimycin sulfate / Colimycin sulphate / Colistin sulphate / Colistins sulfate / Colistins sulphate / Polymixin E sulfate / Polymixin E sulphate
- UNII
- WP15DXU577
- CAS Number
- 1264-72-8
- Weight
- Average: 1267.55
Monoisotopic: 1266.732957062 - Chemical Formula
- C53H102N16O17S
- InChI Key
- ZJIWRHLZXQPFAD-LRYSGCCDSA-N
- InChI
- InChI=1S/C53H100N16O13.H2O4S/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76;1-5(2,3)4/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77);(H2,1,2,3,4)/t30?,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+;/m1./s1
- IUPAC Name
- N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(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@](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
- External Links
- ChemSpider
- 65877
- ChEBI
- 775458
- ChEMBL
- CHEMBL4443366
- Wikipedia
- Colistin
- Predicted Properties
Property Value Source Water Solubility 0.156 mg/mL ALOGPS logP -1.1 ALOGPS logP -7.7 Chemaxon logS -3.9 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 302.27 m3·mol-1 Chemaxon Polarizability 125.67 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