Flavoxate hydrochlorideProduct ingredient for Flavoxate
- Name
- Flavoxate hydrochloride
- Drug Entry
- Flavoxate
A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist. [PubChem]
- Accession Number
- DBSALT000407
- Structure
Structure for Flavoxate hydrochloride (DBSALT000407)
- Synonyms
- Flavoxate HCl
- UNII
- 9C05J6089W
- CAS Number
- 3717-88-2
- Weight
- Average: 427.921
Monoisotopic: 427.155036032 - Chemical Formula
- C24H26ClNO4
- InChI Key
- XOEVKNFZUQEERE-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H
- IUPAC Name
- 2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride
- SMILES
- Cl.CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1
- External Links
- PubChem Compound
- 441345
- ChemSpider
- 390100
- ChEBI
- 5089
- ChEMBL
- CHEMBL1200875
- Wikipedia
- Flavoxate
- Predicted Properties
Property Value Source Water Solubility 0.0154 mg/mL ALOGPS logP 3.65 ALOGPS logP 4.24 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) 7.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 55.84 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 113.51 m3·mol-1 Chemaxon Polarizability 43.89 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon