Flavoxate hydrochloride

Base Information

• Chemical Name: Flavoxate hydrochloride
• CAS No.: 3717-88-2
• Molecular Formula: C₂₄H₂₅NO₄*ClH
• Molecular Weight: 427.928
• Hs Code.: 29349990
• European Community (EC) Number: 223-066-4
• NSC Number: 114649
• UNII: 9C05J6089W
• DSSTox Substance ID: DTXSID1047784
• Wikidata: Q27106648
• NCI Thesaurus Code: C47533
• RXCUI: 142437
• Pharos Ligand ID: WSX1J2LSSM1S
• ChEMBL ID: CHEMBL1200875
• Mol file: 3717-88-2.mol

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

Chemical Property of Flavoxate hydrochloride

Chemical Property:

• Appearance/Colour: crystalline solid
• Vapor Pressure: 9.56E-13mmHg at 25°C
• Melting Point: 232-234 °C
• Boiling Point: 564.1 °C at 760 mmHg
• Flash Point: 294.9 °C
• PSA: 59.75000
• Density: 1.203 g/cm³
• LogP: 5.15100
• Storage Temp.: Refrigerator
• Solubility.: H2O: ~6.6 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 427.1550360
• Heavy Atom Count: 30
• Complexity: 631

Purity/Quality:

99.5% ^*data from raw suppliers

Flavoxate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl
• Recent ClinicalTrials: A Relative Bioavailability Study of 100 mg Flavoxate Hydrochloride Tablets Under Fasting Conditions
• Recent NIPH Clinical Trials: ESTOC study
• Uses: Flavoxate hydrochloride is used as antispasmodic; in treatment of urinary incontinence Antispasmodic;Phosphodiesterase inhibitor
• Therapeutic Function: Spasmolytic

Technology Process of Flavoxate hydrochloride

There total 2 articles about Flavoxate hydrochloride 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:

Methyl 3-methylflavone-8-carboxylate (90101-87-4) + 3-methylflavone-8-carboxylic acid (3468-01-7) + piperidinoethyl chloride (100859-97-0) → flavoxate hydrochloride (3717-88-2)

Guidance literature:

With sodium; In N-hydroxyethylpiperidine; benzene;

Reference yield:

→ flavoxate hydrochloride (3717-88-2)

Guidance literature:

Reference yield:

flavoxate hydrochloride (3717-88-2) → 3-methylflavone-8-carboxylic acid (3468-01-7)

Guidance literature:

flavoxate hydrochloride; With sodium hydroxide; for 3h; Reflux;

With hydrogenchloride; water;

DOI:10.1016/j.saa.2014.06.058

upstream raw materials:

Methyl 3-methylflavone-8-carboxylate

3-methylflavone-8-carboxylic acid

piperidinoethyl chloride

Downstream raw materials:

3-methylflavone-8-carboxylic acid

Refernces

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