Flavoxate

Base Information

• Chemical Name: Flavoxate
• CAS No.: 15301-69-6
• Molecular Formula: C24H25NO4
• Molecular Weight: 391.467
• European Community (EC) Number: 239-337-5
• UNII: 3E74Y80MEY
• DSSTox Substance ID: DTXSID3023053
• Nikkaji Number: J8.545F
• Wikipedia: Flavoxate
• Wikidata: Q848264
• NCI Thesaurus Code: C61765
• RXCUI: 4440
• Pharos Ligand ID: WSX1J2LSSM1S
• Metabolomics Workbench ID: 43370
• ChEMBL ID: CHEMBL1493
• Mol file: 15301-69-6.mol

Synonyms:Bladuril;Flavoxate;Flavoxate Hydrochloride;Hydrochloride, Flavoxate;Spasuret;Urispas;Uronid

Chemical Property of Flavoxate

Chemical Property:

• Vapor Pressure: 9.56E-13mmHg at 25°C
• Melting Point: 87-88 °C
• Refractive Index: 1.591
• Boiling Point: 564.1 °C at 760 mmHg
• PKA: 7.3(at 25℃)
• Flash Point: 294.9 °C
• PSA: 59.75000
• Density: 1.203 g/cm³
• LogP: 4.34900
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 391.17835828
• Heavy Atom Count: 29
• Complexity: 631

Purity/Quality:

98%min ^*data from raw suppliers

2-(Piperidin-1-yl)ethyl3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Anticholinergic Agents
• Canonical SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4
• Recent ClinicalTrials: Etoricoxib With Flavoxate for Reducing Morphine Requirement After Transurethral Prostatectomy (TURP)
• Recent NIPH Clinical Trials: Clinical evaluation of add-on administration of flavoxate hydrochloride in nocturia patients resistant to an anticholinergic agent
• Uses: Flavoxate is a pharmaceutical active-containing film delivery device for oral transmucosal administration. Relaxant (smooth muscle).
• Therapeutic Function: Spasmolytic

Technology Process of Flavoxate

There total 5 articles about Flavoxate 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:

β-piperidinoethyl 6-chloro-3-methylflavone-8-carboxylate (91830-40-9) → 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester (15301-69-6)

Guidance literature:

With sodium acetate; palladium-carbon catalyst; In isopropyl alcohol;

Reference yield:

β-piperidinoethyl 3-propionylsalicylate (91099-99-9) + benzoyl chloride (98-88-4) → 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester (15301-69-6)

Guidance literature:

With sodium benzoate; sodium carbonate;

Reference yield:

β-piperidinoethyl 6-bromo-3-methylflavone-8-carboxylate (91849-12-6) → 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester (15301-69-6)

Guidance literature:

upstream raw materials:

β-piperidinoethyl 6-chloro-3-methylflavone-8-carboxylate

β-piperidinoethyl 6-bromo-3-methylflavone-8-carboxylate

β-piperidinoethyl 3-propionylsalicylate

benzoyl chloride

Refernces

• 1、 -. "Halo-containing 3-methylflavone-8-carboxylic acid derivatives". . . Retrieved 2008/06/13.