Flavoxate hydrochloride

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: -

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