1. Primary Information
| English name: | Hexamidine diisethionate |
| CAS No.: | 659-40-5 |
| Molecular formula: | C24H38N4O10S2 |
| Molecular weight: | 606.7 g/mol |
| SMILES: | 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 |
| Structural class: | |
| Other identifiers: |
1,6-di(para-amidinophenoxy)hexane 1,6-di-(4-amidinophenoxy)hexane Désomédine hexamidine hexamidine dihydrochloride |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | 98% | 640 | RT | in stock | - |
| Kehua Intelligence | 5g | 98% | 1760 | RT | in stock | - |
| Kehua Intelligence | 25g | 98% | 5280 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
4.2 InChI
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)
4.3 InChIKey
NBVZMBLJRHUOJR-UHFFFAOYSA-N
4.4 Canonical SMILES
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
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
