Flavoxate hydrochloride

An orally administered urinary tract antispasmodic used for the symptomatic relief of urinary urgency, frequency, dysuria, nocturia, and bladder spasms associated with inflammatory or functional urinary tract disorders. Flavoxate relaxes smooth muscle in the urinary tract through a combination of direct spasmolytic effects and modulation of calcium-dependent contractility, with some antimuscarinic activity. It provides symptomatic relief but does not treat underlying urinary tract infections. Potential adverse effects include dry mouth, nausea, dizziness, and blurred vision

Compound Structure

CAS Number: 3717-88-2

Molecular Mass: 427.9 g/mol

Formula: C24H26ClNO4

Smiles: Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl

Synonymes:

Bioactivity: Urinary tract antispasmodic; smooth muscle relaxant with antimuscarinic and calcium-modulating activity

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 278.15 - 0.1669 [151]
1-Butanol 283.15 - 0.213 [151]
1-Butanol 288.15 - 0.2865 [151]
1-Butanol 293.15 - 0.4254 [151]
1-Butanol 298.15 - 0.5774 [151]
1-Butanol 303.15 - 0.7919 [151]
1-Butanol 308.15 - 1.03 [151]
1-Butanol 313.15 - 1.39 [151]
1-Butanol 318.15 - 1.708 [151]
1-Butanol 323.15 - 2.125 [151]
1-Propanol 278.15 - 0.1668 [151]
1-Propanol 283.15 - 0.2176 [151]
1-Propanol 288.15 - 0.2632 [151]
1-Propanol 293.15 - 0.3755 [151]
1-Propanol 298.15 - 0.6081 [151]
1-Propanol 303.15 - 0.8074 [151]
1-Propanol 308.15 - 1.062 [151]
1-Propanol 313.15 - 1.413 [151]
1-Propanol 318.15 - 1.845 [151]
1-Propanol 323.15 - 2.359 [151]
2-Methoxyethanol 278.15 - 2.374 [151]
2-Methoxyethanol 283.15 - 2.855 [151]
2-Methoxyethanol 288.15 - 3.156 [151]
2-Methoxyethanol 293.15 - 3.664 [151]
2-Methoxyethanol 298.15 - 4.256 [151]
2-Methoxyethanol 303.15 - 5.006 [151]
2-Methoxyethanol 308.15 - 5.725 [151]
2-Methoxyethanol 313.15 - 6.852 [151]
2-Methoxyethanol 318.15 - 8.089 [151]
2-Methoxyethanol 323.15 - 9.59 [151]
Acetonitrile 278.15 - 0.2399 [151]
Acetonitrile 283.15 - 0.307 [151]
Acetonitrile 288.15 - 0.3448 [151]
Acetonitrile 293.15 - 0.4035 [151]
Acetonitrile 298.15 - 0.4963 [151]
Acetonitrile 303.15 - 0.6093 [151]
Acetonitrile 308.15 - 0.7168 [151]
Acetonitrile 313.15 - 0.891 [151]
Acetonitrile 318.15 - 1.108 [151]
Acetonitrile 323.15 - 1.356 [151]
Dimethyl sulfoxide 293.15 - 3.773 [151]
Dimethyl sulfoxide 298.15 - 4.653 [151]
Dimethyl sulfoxide 303.15 - 5.448 [151]
Dimethyl sulfoxide 308.15 - 6.362 [151]
Dimethyl sulfoxide 313.15 - 7.631 [151]
Dimethyl sulfoxide 318.15 - 8.996 [151]
Dimethyl sulfoxide 323.15 - 10.58 [151]
Ethanol 278.15 - 0.6565 [151]
Ethanol 283.15 - 0.733 [151]
Ethanol 288.15 - 0.8651 [151]
Ethanol 293.15 - 1.046 [151]
Ethanol 298.15 - 1.331 [151]
Ethanol 303.15 - 1.598 [151]
Ethanol 308.15 - 2.049 [151]
Ethanol 313.15 - 2.615 [151]
Ethanol 318.15 - 3.222 [151]
Ethanol 323.15 - 4.01 [151]
Ethylene Glycol 278.15 - 6.729 [151]
Ethylene Glycol 283.15 - 8.868 [151]
Ethylene Glycol 288.15 - 10.52 [151]
Ethylene Glycol 293.15 - 12.4 [151]
Ethylene Glycol 298.15 - 15.0 [151]
Ethylene Glycol 303.15 - 18.03 [151]
Ethylene Glycol 308.15 - 21.63 [151]
Ethylene Glycol 313.15 - 26.42 [151]
Ethylene Glycol 318.15 - 31.48 [151]
Ethylene Glycol 323.15 - 37.81 [151]
Glycol monoethyl ether 278.15 - 0.5423 [151]
Glycol monoethyl ether 283.15 - 0.7248 [151]
Glycol monoethyl ether 288.15 - 0.7677 [151]
Glycol monoethyl ether 293.15 - 0.9319 [151]
Glycol monoethyl ether 298.15 - 1.106 [151]
Glycol monoethyl ether 303.15 - 1.352 [151]
Glycol monoethyl ether 308.15 - 1.574 [151]
Glycol monoethyl ether 313.15 - 1.904 [151]
Glycol monoethyl ether 318.15 - 2.298 [151]
Glycol monoethyl ether 323.15 - 2.727 [151]
Glycol monopropyl ether 278.15 - 0.7323 [151]
Glycol monopropyl ether 283.15 - 0.8026 [151]
Glycol monopropyl ether 288.15 - 0.9617 [151]
Glycol monopropyl ether 293.15 - 1.136 [151]
Glycol monopropyl ether 298.15 - 1.324 [151]
Glycol monopropyl ether 303.15 - 1.533 [151]
Glycol monopropyl ether 308.15 - 1.881 [151]
Glycol monopropyl ether 313.15 - 2.181 [151]
Glycol monopropyl ether 318.15 - 2.575 [151]
Glycol monopropyl ether 323.15 - 3.207 [151]
Methanol 278.15 - 5.689 [151]
Methanol 283.15 - 6.812 [151]
Methanol 288.15 - 8.594 [151]
Methanol 293.15 - 10.16 [151]
Methanol 298.15 - 12.16 [151]
Methanol 303.15 - 14.61 [151]
Methanol 308.15 - 17.62 [151]
Methanol 313.15 - 21.39 [151]
Methanol 318.15 - 26.24 [151]
Methanol 323.15 - 32.37 [151]
N-Methyl-2-pyrrolidone 278.15 - 1.146 [151]
N-Methyl-2-pyrrolidone 283.15 - 1.501 [151]
N-Methyl-2-pyrrolidone 288.15 - 1.746 [151]
N-Methyl-2-pyrrolidone 293.15 - 2.096 [151]
N-Methyl-2-pyrrolidone 298.15 - 2.434 [151]
N-Methyl-2-pyrrolidone 303.15 - 2.86 [151]
N-Methyl-2-pyrrolidone 308.15 - 3.383 [151]
N-Methyl-2-pyrrolidone 313.15 - 4.033 [151]
N-Methyl-2-pyrrolidone 318.15 - 4.764 [151]
N-Methyl-2-pyrrolidone 323.15 - 5.638 [151]
Water 278.15 - 5.196 [151]
Water 283.15 - 6.18 [151]
Water 288.15 - 7.155 [151]
Water 293.15 - 8.558 [151]
Water 298.15 - 10.46 [151]
Water 303.15 - 12.45 [151]
Water 308.15 - 14.85 [151]
Water 313.15 - 17.86 [151]
Water 318.15 - 21.66 [151]
Water 323.15 - 26.86 [151]

Molecule 3D descriptors

Descriptor Value
PMI1 2111.6513
PMI2 4542.2271
PMI3 6420.9774
NPR1 0.3289
NPR2 0.7074
RadiusOfGyration 3.9086
InertialShapeFactor 0.0003
Eccentricity 0.9444
Asphericity 0.3277
SpherocityIndex 0.1001
PBF 0.6004