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Flavoxate Hydrochloride

CAT: 0572-TRC-F373500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F373500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3717-88-2
Synonyms
Flavoxate Hydrochloride; 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester hydrochloride; 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-piperidinoethyl ester hydrochloride; 1-Piperidineethanol 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate (ester) hydrochloride; Bladderon; DW 61; Flavoxate hydrochloride; Genurin; NSC 114649; Patricin; Peflate; Piperidinoethyl-3-methylflavone-8-carboxylate hydrochloride; Rec 7/0040; Spasmal; Spasuret; Urispas
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4
Molecular Formula
C24 H25 N O4 . Cl H
Molecular Weight
427.92
InChI
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
Additionnal Information
IUPAC name: 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Flavoxate Hydrochloride

Flavoxate hydrochloride is the hydrochloride salt of flavoxate. It has a role as a muscarinic antagonist, a parasympatholytic and an antispasmodic drug. It contains a flavoxate(1+).

CAS Number3717-88-2
PubChem CID441345
IUPAC Name2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
Molecular FormulaC24H26ClNO4
Molecular Weight427.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity631
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl
InChI
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
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flavoxate Hydrochloride
CAS: 3717-88-2
CID: 441345
Formula: C24H26ClNO4
MW: 427.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass427.1550360
Monoisotopic Mass427.1550360
Topological Polar Surface Area55.8 Ų
Heavy Atom Count30
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 Count2
Compound Is CanonicalizedYes

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PXB67843-01Flavoxate-d4 hydrochloride
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