Flavoxate

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Systematic / IUPAC Name: 2-Piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

ID: Reference13782

Other Names: AA-3877

Formula: C24H25NO4

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Flavoxate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 868
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/3/2026 2:50:47 PM
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Identificators

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
InChI Key SPIUTQOUKAMGCX-UHFFFAOYSA-N
Canonical SMILES Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
CAS
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Other Names AA-3877

In Other Databases

KEGG C07809
ChEBI CHEBI:5088
ChemSpider 3237
ChEMBL CHEMBL1493
HMDb HMDB0015279; HMDB0015279; HMDB0015279
Wikipedia Flavoxate
DrugBank DB01148; DB01148
PubChem 3354