Hexamidine Dihydrochloride

Base Information

• Chemical Name: Hexamidine Dihydrochloride
• CAS No.: 50357-46-5
• Molecular Formula: C20H26N4O2.2ClH
• Molecular Weight: 427.36800
• Hs Code.: 2925290090
• ChEMBL ID: CHEMBL3216902
• DSSTox Substance ID: DTXSID40531585
• Mol file: 50357-46-5.mol

Synonyms:1,6-di(para-amidinophenoxy)hexane;1,6-di-(4-amidinophenoxy)hexane;Désomédine;hexamidine;hexamidine dihydrochloride;hexamidine diisethionate;hexamidine isethionate;Hexaseptine;Hexomédine;Hexomedin;Hexomedin N;Hexomedine;Laryngomedin N;Ophtamedine

Chemical Property of Hexamidine Dihydrochloride

Chemical Property:

• Melting Point: 250-254°C
• PSA: 118.20000
• LogP: 6.47700
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 426.1589315
• Heavy Atom Count: 28
• Complexity: 388

Purity/Quality:

99%, ^*data from raw suppliers

HexamidineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N.Cl.Cl
• Uses: Hexamidine Dihydrochloride is an amidine compound use in the treatment of amyloid-related diseases; also use as preservative in cosmetics. Antiseptic.

Technology Process of Hexamidine Dihydrochloride

There total 4 articles about Hexamidine Dihydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C20H26N4O2*2C3H8O3S → 4,4'-hexanediyldioxy-bis-benzamidine; dihydrochloride (50357-46-5)

Guidance literature:

With hydrogenchloride; In water; for 0.75h; Cooling with ice;

DOI:10.1016/j.ijpharm.2015.07.071

Reference yield:

4,4'-(hexane-1,6-diylbis(oxy))dibenzonitrile (94291-61-9) → 4,4'-hexanediyldioxy-bis-benzamidine; dihydrochloride (50357-46-5)

Guidance literature:

With hydrogenchloride; ethanol; Behandeln des Reaktionsprodukts mit aethanol. Ammoniak;

Reference yield:

1 ,6-dibromohexane (629-03-8) → 4,4'-hexanediyldioxy-bis-benzamidine; dihydrochloride (50357-46-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: hydrogen chloride; ethanol / Behandeln des Reaktionsprodukts mit aethanol. Ammoniak

With hydrogenchloride; ethanol;

upstream raw materials:

4,4'-(hexane-1,6-diylbis(oxy))dibenzonitrile

1 ,6-dibromohexane

sodium 4-cyanophenolate

Refernces