chempirical

Colistimethate

C45H85N13O10CAS 8068-28-8968.26 g/mol

Open in Covalent MOL file
OHNONHONHONHONHONHONHONHONHNH2NH2NH2NH2HO
AlcoholAmideLactamPrimary amine

Properties

Molecular formula
C45H85N13O10
Molar mass
968.26 g/mol
Exact mass
967.6542 Da
logP
-3.14Crippen estimate
Polar surface area
386.2 Ų
H-bond donors / acceptors
14 / 14
Rotatable bonds
22
Stereocentres
S, S, S, S, S, S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
8068-28-8
SMILES
CCC(C)CCCCC(=O)NCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCN)CC(C)C)CCN)CCN)CCN)[C@@H](C)O
InChIKey
RPABDKTXMKOGKI-OYTUFZPASA-N
InChI
InChI=1S/C45H85N13O10/c1-8-27(6)11-9-10-12-36(60)50-22-17-33-42(65)58-37(28(7)59)45(68)55-32(16-21-49)39(62)51-29(13-18-46)38(61)52-30(14-19-47)40(63)56-34(23-25(2)3)43(66)53-31(15-20-48)41(64)57-35(24-26(4)5)44(67)54-33/h25-35,37,59H,8-24,46-49H2,1-7H3,(H,50,60)(H,51,62)(H,52,61)(H,53,66)(H,54,67)(H,55,68)(H,56,63)(H,57,64)(H,58,65)/t27?,28-,29+,30+,31+,32+,33+,34+,35+,37+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Colistimethate sodium
  • Colistinmethanesulfonic acid
  • W 1929
  • Colistin sulfomethate sodium
  • Coly-Mycin injectable
  • Sodium colistimethate
  • Sodium colistinmethanesulfonate
  • Colistin sulfomethate
  • Colistinat
  • Colimycin M
  • Colymycin M
  • Colistin, methyl sulfate, sodium salt
  • Colimycin sodium methanesulfonate
  • Colistin sodium methanesulfonate
  • Promixin
  • Coly-mycin M parenteral
  • Colistate
  • Colobreathe

Work with Colistimethate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Colistin1066-17-786 % similar Colistin sulfate1264-72-871 % similar Palmitoyl pentapeptide-4214047-00-449 % similar Tb500885340-08-946 % similar Palmitoyl tetrapeptide-10887140-79-644 % similar Sinapultide138531-07-440 % similar Caspofungin162808-62-038 % similar Caspofungin acetate179463-17-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook