FLAVOXATE

The IUPAC name of Flavoxate is 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate. With the CAS registry number 15301-69-6, it is also named as 2-Piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylat. The product's classification codes are Autonomic Agents; Parasympatholytics; Peripheral Nervous System Agents. It is an anticholinergic with antimuscarinic effects. In addition, its molecular formula is C₂₄H₂₅NO₄ and molecular weight is 391.46.

The other characteristics of this product can be summarized as: (1)EINECS: 239-337-5; (2)ACD/LogP: 5.18; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 2.56; (5)ACD/LogD (pH 7.4): 4.23; (6)ACD/BCF (pH 5.5): 12.12; (7)ACD/BCF (pH 7.4): 573.29; (8)ACD/KOC (pH 5.5): 37.22; (9)ACD/KOC (pH 7.4): 1760.78; (10)#H bond acceptors: 5; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 6; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 109.95 cm³; (15)Molar Volume: 325.1 cm³; (16)Surface Tension: 47.3 dyne/cm; (17)Density: 1.203 g/cm³; (18)Flash Point: 294.9 °C; (19)Enthalpy of Vaporization: 84.76 kJ/mol; (20)Boiling Point: 564.1 °C at 760 mmHg; (21)Water Solubility: 10 mg/L at 37 °C; (22)Vapour Pressure: 9.56E-13 mmHg at 25 °C.

Uses of Flavoxate: this chemical is used to treat urinary bladder spasms. Moreover, it is a drug that has been used in various urinary syndromes and as an antispasmodic. Besides, it may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCCN1CCCCC1)c4cccc2c4O/C(=C(\C2=O)C)c3ccccc3
(2)InChI: InChI=1/C24H25NO4/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
(3)InChIKey: SPIUTQOUKAMGCX-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C24H25NO4/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
(5)Std. InChIKey: SPIUTQOUKAMGCX-UHFFFAOYSA-N