Guanabenz

Base Information

• Chemical Name: Guanabenz
• CAS No.: 60329-03-5
• Molecular Formula: C₈H₈Cl₂N₄
• Molecular Weight: 231.084
• European Community (EC) Number: 225-750-8
• NSC Number: 68982
• UNII: GGD30112WC
• Wikipedia: Guanabenz
• NCI Thesaurus Code: C83740
• RXCUI: 5033
• Pharos Ligand ID: DLJGCQBZ9NJB
• Metabolomics Workbench ID: 42954
• ChEMBL ID: CHEMBL420
• Mol file: 60329-03-5.mol

Synonyms:2,6 Dichlorobenzylideneaminoguanidine;2,6-Dichlorobenzylideneaminoguanidine;Acetate Wyeth-Ayerst, Guanabenz;Acetate, Guanabenz;BR 750;BR-750;BR750;Guanabenz;Guanabenz Acetate;Guanabenz Acetate Wyeth-Ayerst;Guanabenz Monoacetate;Monoacetate, Guanabenz;WY 8678;WY-8678;WY8678;Wyeth Ayerst of Guanabenz Acetate;Wyeth-Ayerst of Guanabenz Acetate;Wytensin

Chemical Property of Guanabenz

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.0126017
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl
• Recent ClinicalTrials: Oral Guanabenz for Multiple Sclerosis
• Recent EU Clinical Trials: A Study to Explore the Safety, Tolerability, Pharmacokinetic Profile, and Potential Efficacy of Guanabenz in Patients With Early Childhood Onset Vanishing White Matter (VWM)

Technology Process of Guanabenz

There total 3 articles about Guanabenz 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: 96.0%

2,6-dichlorobenzaldehyde (83-38-5) + 1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) → Guanabenz (60329-03-5)

Guidance literature:

1-aminoguanidine hydrochloride; With sodium hydroxide; In water;

2,6-dichlorobenzaldehyde; In water; at 20 ℃; for 1h;

DOI:10.1021/acs.cgd.9b00026

Reference yield:

2,6-dichlorobenzaldehyde (83-38-5) + aminoguanidine (79-17-4) → guanabenz (60329-03-5)

Guidance literature:

With hydrogenchloride; In water; at 37 ℃; effect of pH on the reversibility;

DOI:10.1248/cpb.36.3692

Reference yield:

→ guanabenz (60329-03-5)

Guidance literature:

Methode v. Shell, US.Pat. 3658993 <1972>;

upstream raw materials:

2,6-dichlorobenzaldehyde

aminoguanidine

1-aminoguanidine hydrochloride

Downstream raw materials:

2,6-dichlorobenzaldehyde

aminoguanidine