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Flavoxate-d4 Hydrochloride

CAT: 1459-CS-T-23667Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-23667Size:1 Each
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Description
Flavoxate-d4 Hydrochloride is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Flavoxate. The product is supplied by Clearsynth under CAT No. CS-T-23667. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1189678-43-0
Synonyms
Flavoxate-d4 Hydrochloride
Molecular Formula
C 24 H 22 D 4 ClNO 4
Molecular Weight
431.95
Additionnal Information
Flavoxate-d4 Hydrochloride is supplied with detailed characterization data compliant with regulatory guideline. Flavoxate-d4 Hydrochloride can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Flavoxate.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Flavoxate-d4 Hydrochloride
CAS Number1189678-43-0
PubChem CID46781580
IUPAC Name(1,1,2,2-tetradeuterio-2-piperidin-1-ylethyl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
Molecular FormulaC24H26ClNO4
Molecular Weight431.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity631
SMILES
[2H]C([2H])(C([2H])([2H])OC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3)N4CCCCC4.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/i15D2,16D2;
InChIKey
XOEVKNFZUQEERE-JWIOGAFXSA-N
Chemical Structure
2D Structure
2D structure of Flavoxate-d4 Hydrochloride
CAS: 1189678-43-0
CID: 46781580
Formula: C24H26ClNO4
MW: 431.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass431.1801430
Monoisotopic Mass431.1801430
Topological Polar Surface Area55.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity631
Isotope Atom Count4
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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