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Flavoxate

CAT: 1596-AR-F01513-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01513-02Size:25 Units
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CAS Number
15301-69-6
Synonyms
2- (piperidin-1-yl) ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate;4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2- (1-piperidinyl) ethyl ester;3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-piperidinoethyl ester; FLAVOXATE;2-piperidinoethyl 3-methylflavone-8-carboxylate; Flavoxatum; Flavoxato
Molecular Formula
C24H25NO
Molecular Weight
391.47
API Name
Flavoxate

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
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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

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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