chempirical

Hexamidine diisethionate

C22H32N4O6SCAS 659-40-5480.58 g/mol

Open in Covalent MOL file
HNH2NOONHNH2OSOHOOH
AlcoholAmidineEtherSulfonic acid

Properties

Molecular formula
C22H32N4O6S
Molar mass
480.58 g/mol
Exact mass
480.2043 Da
logP
2.14Crippen estimate
Polar surface area
192.8 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
13

Identifiers

CAS number
659-40-5
SMILES
N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO
InChIKey
SUXLANSZRSDYOX-UHFFFAOYSA-N
InChI
InChI=1S/C20H26N4O2.C2H6O4S/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;3-1-2-7(4,5)6/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);3H,1-2H2,(H,4,5,6)

Weigh it out

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

Names and synonyms

18 names · show all
  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-[1,6-hexanediylbis(oxy)]bis[benzenecarboximidamide] (2:1)
  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-(hexamethylenedioxy)dibenzamidine (2:1)
  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-(hexamethylenedioxy)dibenzamidine
  • Benzamidine, 4,4′-(hexamethylenedioxy)di-, diisethionate
  • Benzamidine, 4,4′-(hexamethylenedioxy)di-, bis(2-hydroxyethanesulfonate)
  • Benzenecarboximidamide, 4,4′-[1,6-hexanediylbis(oxy)]bis-, bis(2-hydroxyethanesulfonate)
  • 2535RP
  • RP 2535
  • p,p′-(Hexamethylenedioxy)dibenzamide bis(β-hydroxyethanesulfonate)
  • Hexamidine isethionate
  • Desomedine
  • Esomedina
  • Hexomedine
  • Ophtamedine
  • NSC 115848
  • Elestab HP 100
  • Elastab HP 100
  • Hexamethylenedioxy-4,4′-dibenzamidinebis(hydroxy-2-ethanesulfonate)

Work with Hexamidine diisethionate

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

Pentamidine isethionate140-64-7100 % similar Pentamidine100-33-464 % similar 4-(Hexyloxy)benzoic acid1142-39-839 % similar 4-(Heptyloxy)benzoic acid15872-42-139 % similar 4-(Nonyloxy)benzoic acid15872-43-239 % similar 4-(Undecyloxy)benzoic acid15872-44-339 % similar 4-(Dodecyloxy)benzoic acid2312-15-439 % similar Octyloxybenzoic acid2493-84-739 % similar

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

Elsewhere

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