Guanfacine

Base Information

• Chemical Name: Guanfacine
• CAS No.: 29110-47-2
• Molecular Formula: C9H9 Cl2 N3 O
• Molecular Weight: 246.096
• Hs Code.: 2925290090
• European Community (EC) Number: 249-442-8
• UNII: 30OMY4G3MK
• DSSTox Substance ID: DTXSID9046944
• Nikkaji Number: J21.225C
• Wikipedia: Guanfacine
• Wikidata: Q5613599
• NCI Thesaurus Code: C61779
• RXCUI: 40114
• Pharos Ligand ID: TFPFTJNHL3BH
• ChEMBL ID: CHEMBL862
• Mol file: 29110-47-2.mol

Synonyms:BS 100 141;BS-100-141;BS100141;Estulic;Guanfacine;Guanfacine Hydrochloride;Guanfacine Monohydrochloride;Hydrochloride, Guanfacine;Lon798;Monohydrochloride, Guanfacine;Tenex

Chemical Property of Guanfacine

Chemical Property:

• Vapor Pressure: 2E-07mmHg at 25°C
• Melting Point: 227-230?C
• Boiling Point: 424.9°C at 760 mmHg
• PKA: 11.92±0.46(Predicted)
• Flash Point: 210.8°C
• PSA: 78.97000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 2.73650
• Storage Temp.: Refrigerator
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.0122673
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

99%, ^*data from raw suppliers

Guanfacine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Antihypertensive Agents
• Canonical SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl
• Recent ClinicalTrials: The Effect of Guanfacine on Delirium in Critically Ill Patients
• Recent EU Clinical Trials: Proof-of-concept study on treating cognitive side-effects of Tamoxifen with guanfacine in postmenopausal women with E2/Pg receptor-positive breast cancer.
• Recent NIPH Clinical Trials: Optical Topography based effect of Guanfacine Hydrochloride in ADHD Children
• Uses: Guanfacine centrally acting α-adrenoceptor agonist. Guanfacine is an antihypertensive.
• Therapeutic Function: Antihypertensive

Technology Process of Guanfacine

There total 5 articles about Guanfacine 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:

C10H10Cl2N2O2 → guanfacine (29110-47-2)

Guidance literature:

With ammonium hydroxide; at 45 ℃; for 3h; Temperature;

Reference yield:

→ guanfacine (29110-47-2)

Guidance literature:

Reference yield:

2-(2,6-dichlorophenyl)acetic acid (6575-24-2) + 2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) → guanfacine (29110-47-2)

Guidance literature:

2-(2,6-dichlorophenyl)acetic acid; 2-methylisothiourea sulphate; With 1-methyl-pyrrolidin-2-one; N-ethyl-N,N-diisopropylamine; ((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); p-nitrophenylcarbonate resin; at 20 ℃;

With 1-methyl-pyrrolidin-2-one; ammonia; at 20 ℃;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1016/S0040-4039(00)02265-6

upstream raw materials:

methyl 2-(2,6-dichlorophenyl)acetate

guanidine nitrate

2-(2,6-dichlorophenyl)acetic acid

2-methylisothiourea sulphate

Downstream raw materials:

guanfacine hydrochloride

Refernces

• 1、 -. "The preparation method of the overall tablet sizes hydrochloride (by machine translation)". Paragraph 0027; 0028; 0029. . Retrieved 2017/08/29.