Registration Dossier

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid

Inventory

EC number:
211-533-5
EC name:
2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2:1)
CAS number:
659-40-5
CAS number:
659-40-5
Synonyms
Names:
Identifier:
common name
Hexamidine diisethionate

Molecular and structural information

Molecular formula:
C20H26N4O2.2C2H6O4S
Molecular weight:
ca. 606
SMILES notation:
C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
InChl:
InChI=1S/C20H26N4O2.2C2H6O4S/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;2*3-1-2-7(4,5)6/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*3H,1-2H2,(H,4,5,6)
Structural formula:
Chemical structure

Related substances