Dataset

FLAVOXATE

This MassBank record with Accession MSBNK-UPAO-UPA00001 contains the MS2 mass spectrum of FLAVOXATE with the InChIkey SPIUTQOUKAMGCX-UHFFFAOYSA-N.

Chemical Info

molecular Image
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
SMILES C(C4)CCN(C4)CCOC(=O)c(c3)c(O1)c(cc3)C(=O)C(C)=C(c(c2)cccc2)1
InChI Key SPIUTQOUKAMGCX-UHFFFAOYSA-N
Molecular Formula C24H25NO4
Exact Mass 391.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00001
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:10:01.770475
MetadataModified 2025-02-09T19:56:32.450366
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
736698 eMolecules
3354 PubChem
PD009777 ProbesDrugs
HWL PDBe
3E74Y80MEY FDA SRS
LSM-3050 LINCS
SCHEMBL25801 SureChEMBL
15301-69-6 ACToR
14780778 PubChem: Thomson Pharma
20208561 NMRShiftDB
flavoxate DailyMed
ZINC000000608382 ZINC
PA164781386 PharmGKB
HMDB0015279 Human Metabolome Database
CHEMBL1493 ChEMBL
C07809 KEGG Ligand
DB01148 DrugBank
5088 ChEBI
CB2341499 ChemicalBook
FLAVOXATE rxnorm
FLAVOXATE HYDROCHLORIDE rxnorm
BLADURIL clinicaltrials
FLAVOXATE clinicaltrials
URISPAS clinicaltrials
FLAVOXATE DailyMed
DTXSID3023053 EPA CompTox Dashboard
1175 DrugCentral
7187 Guide to Pharmacology
J8.545F Nikkaji
FLAVOXATE HYDROCHLORIDE clinicaltrials
The data in this table is sourced from UniChem at EBI.