Dataset

Oxybutynin

This MassBank record with Accession MSBNK-Waters-WA002620 contains the MS mass spectrum of Oxybutynin with the InChIkey XIQVNETUBQGFHX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
SMILES CCN(CC)CC#CCOC(=O)C(O)(C(C2)CCCC2)c(c1)cccc1
InChI Key XIQVNETUBQGFHX-UHFFFAOYSA-N
Molecular Formula C22H31NO3
Exact Mass 357.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002620
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:54.834550
MetadataModified 2024-01-11T22:49:54.999738
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C07360 KEGG Ligand
CHEMBL1231 ChEMBL
359 Guide to Pharmacology
902251 eMolecules
14778874 PubChem: Thomson Pharma
4634 PubChem
PD009572 ProbesDrugs
LSM-5111 LINCS
PA164746030 PharmGKB
Oxybutynin(Ditropan) Selleck
SCHEMBL2992 SureChEMBL
5633-20-5 ACToR
J8.038A Nikkaji
DB01062 DrugBank
16527 Brenda
7856 ChEBI
CB42675235 ChemicalBook
144551 ChEBI
HMDB0015195 Human Metabolome Database
CB2767266 ChemicalBook
oxybutynin DailyMed
CB4587899 ChemicalBook
HY-B0267 MedChemExpress
POLLAKISU clinicaltrials
OXYBUTYNIN CHLORIDE clinicaltrials
OXYBUTYNIN HYDROCHLORIDE clinicaltrials
K9P6MC7092 FDA SRS
MCULE-3407007074 Mcule
DTXSID0023406 EPA CompTox Dashboard
2028 DrugCentral
50165019 BindingDB
OXYBUTYNIN DailyMed
GELNIQUE rxnorm
OXYBUTYNIN rxnorm
OXYTROL rxnorm
OXYBUTYNIN CHLORIDE rxnorm
DITROPAN rxnorm
OXYTROL clinicaltrials
MJ 4309-1 clinicaltrials
MJ-4309-1 clinicaltrials
OXYBUTYNIN clinicaltrials
The data in this table is sourced from UniChem at EBI.