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Flavoxate

CAT: 0013-GTR19206754-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206754-03Size:100 mg
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Description
Flavoxate is a synthetic antimuscarinic agent used in research to investigate smooth muscle spasmology. It serves as a tool in urological and gastrointestinal studies, applied in both in vitro receptor binding assays and in vivo models of bladder dysfunction.
CAS Number
15301-69-6
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (OCCN1CCCCC1) C2=CC=CC=3C (=O) C (=C (OC23) C=4C=CC=CC4) C
Molecular Formula
C24H25NO4
Molecular Weight
391.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flavoxate

Flavoxate is a carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol. It has a role as a muscarinic antagonist, a parasympatholytic and an antispasmodic drug. It is a member of flavones, a member of piperidines, a carboxylic ester and a tertiary amino compound. It is functionally related to a 3-methylflavone-8-carboxylic acid and a 2-(piperidin-1-yl)ethanol. It is a conjugate base of a flavoxate(1+).

CAS Number15301-69-6
PubChem CID3354
IUPAC Name2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Molecular FormulaC24H25NO4
Molecular Weight391.5
XLogP4.3
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity631
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4
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
InChIKey
SPIUTQOUKAMGCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flavoxate
CAS: 15301-69-6
CID: 3354
Formula: C24H25NO4
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass391.17835828
Monoisotopic Mass391.17835828
Topological Polar Surface Area55.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19242458-01Flavodate disodium

Alternative Products

CatalogName
T0703L-01Flavoxate
B3433-5.1Flavoxate hydrochloride
527811Flavoxate HCl
A12900-10Flavoxate 10mg
CS-O-59773Flavoxate-d5
A12900-50Flavoxate 50mg
A12900-25Flavoxate 25mg
CS-O-53077Flavoxate D4
HY-B0549A-01Flavoxate (hydrochloride)

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