Dantrolene

Base Information

Chemical Name:Dantrolene
CAS No.:833480-90-3
Molecular Formula:C₁₄H₁₀N₄O₅
Molecular Weight:314.257
Hs Code.:
European Community (EC) Number:230-684-8
UNII:F64QU97QCR
DSSTox Substance ID:DTXSID70873546
Wikipedia:Dantrolene
NCI Thesaurus Code:C61697
RXCUI:3105
Pharos Ligand ID:BYQYWP6BK9PD
Metabolomics Workbench ID:145941
ChEMBL ID:CHEMBL1201288

Synonyms:Dantrium;Dantrolene;Dantrolene Sodium;Sodium, Dantrolene

Suppliers and Price of Dantrolene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Dantrolene

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:314.06511943
Heavy Atom Count:23
Complexity:524

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Drug Classes:Autonomic Agents: Muscle Relaxants, Central
Canonical SMILES:C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Isomeric SMILES:C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Recent ClinicalTrials:Study of Human Non-Shivering Thermogenesis and Basal Metabolic Rate
Recent EU Clinical Trials:Dantrolene in catecholaminiergic polymorphic ventricular tachycardia
Recent NIPH Clinical Trials:Dantrolene VT study

Technology Process of Dantrolene

There total 6 articles about Dantrolene 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: 94.0%

: 6301-02-6
1-aminohydantoin

: 7147-77-5
5-(4-nitrophenyl)-2-furaldehyde

: 833480-90-3
dantrolene

Guidance literature:: With hydrogenchloride; In water; N,N-dimethyl-formamide; at 20 ℃; for 1h;
DOI:10.1016/S0968-0896(02)00600-4

Reference yield: 90.0%

: 7147-77-5
5-(4-nitrophenyl)-2-furaldehyde

: 2827-56-7
1-aminohydantoin hydrochloride

: 833480-90-3
dantrolene

Guidance literature:: With zirconium(IV) oxide; for 2h;
DOI:10.1039/c8gc01345d

Reference yield:

: 636-98-6
p-nitrobenzene iodide

: 833480-90-3
dantrolene

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / (Ph₃P)2PdCl₂ / 1,2-dimethoxy-ethane / 2 h / 50 °C

2: 94 percent / HCl / H₂O; dimethylformamide / 1 h / 20 °C

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; In 1,2-dimethoxyethane; water; N,N-dimethyl-formamide; 1: Stille reaction;
DOI:10.1016/S0968-0896(02)00600-4