CAS Number3717-88-2
Synonyms4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-piperidinoethyl ester, hydrochloride; 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride; 2-(Piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride; 2-(Piperidin-1-yl)ethyl-3-methyl-4-oxo-2-phenyl-4H-chromen-8-carboxylathydrochlorid; 2-Piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride; 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate,hydrochloride; Spasuret hydrochloride; 2-(Piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride (1:1); 2-Piperidin-1-ylethyl-3-methyl-4-oxo-2-phenyl-4H-chromen-8-carboxylathydrochlorid; 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carb
Molecular FormulaC24H26ClNO4
Molecular Weight427.92
Purity98.00%
Density1.203g/cm3
Boiling Point564.1ºC at 760 mmHg
Melting Point232-234°C
Appearancewhite, solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3717-88-2 |
| Catalog No. | 2A-9030114 |
| Chinese Name | 盐酸黄酮哌酯 |
| Synonyms | 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-piperidinoethyl ester, hydrochloride; 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride; 2-(Piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride; 2-(Piperidin-1-yl)ethyl-3-methyl-4-oxo-2-phenyl-4H-chromen-8-carboxylathydrochlorid; 2-Piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride; 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate,hydrochloride; Spasuret hydrochloride; 2-(Piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride (1:1); 2-Piperidin-1-ylethyl-3-methyl-4-oxo-2-phenyl-4H-chromen-8-carboxylathydrochlorid; 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carb |
| Molecular Formula | C24H26ClNO4 |
| Molecular Weight | 427.92 |
| Purity | 98.00 |
| Density | 1.203g/cm3 |
| Boiling Point | 564.1ºC at 760 mmHg |
| Melting Point | 232-234°C |
| Appearance | white, solid |
| Water Solubility | H2O: ~6.6 mg/mL |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | Flavoxate (DW-61) hydrochloride is a muscarinic receptor AChR antagonist with an IC50 of 12.2 μM. |
| HTC | 2934999090 |
| MDL Number | MFCD00072099 |
| SMILES | Cl[H].CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4 |
| 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 |
| InChI Key | XOEVKNFZUQEERE-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/30114_1_3717_88_2.pdf |
| Bioactivity | Flavoxate Hydrochloride(DW-61 Hydrochloride) is a muscarinic AChR antagonist used in various urinary syndromes and as an antispasmodic.Target: mAChRFlavoxate displaces [3H]nitrendipine on the Ca2+ channels binding sites with IC50 of 254 μM [1]. Flavoxate (>10 μM) suppresses carbachol-induced contractions in isolated rat detrusor strips with pD value of 4.55. Flavoxate (>10 μM) suppresses Ca2+-induced contractions in isolated rat detrusor strips with pIC50 value of 4.92 [2]. Flavoxate (0.01 μM ?10 μM) inhibits CAMP formation in a concentration-dependent manner in membranes from the rat striatum and cerebral cortex, an action which is completely abolished by pretreating the membranes with pertussis toxin (PTX) [3].Flavoxate (10mg/kg) suppresses both the an initial, rapidly rising phasic contraction (phase 1) and the tonic contraction (phase 2) contractions to the same extent in rats. Flavoxate (10mg/kg) abolishes the bladder contractions without causing any change in the amplitude of the contractions in rats. Flavoxate (3 mg/kg) abolishes the efferent neural activity and the associated bladder contractions for about 10 minutes without changing the baseline vesical pressure in rats. ICV-injected (50 to 200 μg/rat) or IT-injected (100 to 200 μg/rat) Flavoxate abolishes rhythmic bladder contractions during and after injection for five to 15 minutes in a dose-dependent manner in rats [2]. Flavoxate (3 mg/kg, i.v.) abolishes rhythmic bladder contractions and the maximal intervals of voiding contractions is 7.20 min [3]. Related Catalog Signaling Pathways >> GPCR/G Protein >> mAChR Signaling Pathways >> Neuronal Signaling >> mAChR Research Areas >> Neurological Disease References [1]. Dansette, P.M., M. Jaoen, and C. Pons, HMG-CoA reductase activity in human liver microsomes: comparative inhibition by statins. Exp Toxicol Pathol, 2000. 52(2): p. 145-8. [2]. Kimura, Y., et al., Mechanisms of the suppression of the bladder activity by flavoxate. Int J Urol, 1996. 3(3): p. 218-27. [3]. Oka, M., et al., Brain pertussis toxin-sensitive G proteins are involved in the flavoxate hydrochloride-induced suppression of the micturition reflex in rats. Brain Res, 1996. 727(1-2): p. 91-8. Chemical & Physical Properties Density 1.203g/cm3 Boiling Point 564.1ºC at 760 mmHg Melting Point 232-234°C Molecular Formula C24H26ClNO4 Molecular Weight 427.921 Flash Point 294.9ºC Exact Mass 427.155029 PSA 59.75000 LogP 5.15100 InChIKey XOEVKNFZUQEERE-UHFFFAOYSA-N SMILES Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl Storage condition Refrigerator Water Solubility H2O: ~6.6 mg/mL |
| Use of | Properties Name flavoxate hydrochloride Synonym More Synonyms Flavoxate hydrochloride Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> mAChR Signaling Pathways >> Neuronal Signaling >> mAChR Research Areas >> Neurological Disease References [1]. Dansette, P.M., M. Jaoen, and C. Pons, HMG-CoA reductase activity in human liver microsomes: comparative inhibition by statins. Exp Toxicol Pathol, 2000. 52(2): p. 145-8. [2]. Kimura, Y., et al., Mechanisms of the suppression of the bladder activity by flavoxate. Int J Urol, 1996. 3(3): p. 218-27. [3]. Oka, M., et al., Brain pertussis toxin-sensitive G proteins are involved in the flavoxate hydrochloride-induced suppression of the micturition reflex in rats. Brain Res, 1996. 727(1-2): p. 91-8. Chemical & Physical Properties Exact Mass 427.155029 PSA 59.75000 LogP 5.15100 InChIKey XOEVKNFZUQEERE-UHFFFAOYSA-N Storage condition Refrigerator |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available |
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