Colistimethate

C45H85N13O10CAS 8068-28-8968.26 g/mol

Open in Covalent MOL file
OHNONHONHONHONHONHONHONHONHNH2NH2NH2NH2OH
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

Warning
Health Hazard (GHS08)

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P280, P318, P405, P501

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 Myristoyl pentapeptide-17959610-30-143 % similar Sinapultide138531-07-440 % similar Caspofungin162808-62-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook