Dataset

Tolterodine

This MassBank record with Accession MSBNK-Eawag-EQ01108708 contains the MS2 mass spectrum of Tolterodine with the InChIkey OOGJQPCLVADCPB-HXUWFJFHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
SMILES CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C
InChI Key OOGJQPCLVADCPB-HXUWFJFHSA-N
Molecular Formula C22H31NO
Exact Mass 325.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01108708
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:07:56.790051
MetadataModified 2025-02-09T10:07:56.987579
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
443879 PubChem
PD009584 ProbesDrugs
DB01036 DrugBank
WHE7A56U7K FDA SRS
14777260 PubChem: Thomson Pharma
124937-51-5 ACToR
14801661 PubChem: Thomson Pharma
LSM-5645 LINCS
902595 eMolecules
29542663 eMolecules
tolterodine DailyMed
169000 Brenda
HMDB0015170 Human Metabolome Database
SCHEMBL3064 SureChEMBL
CHEMBL1382 ChEMBL
9622 ChEBI
TOLTERODINE DailyMed
TOLTERODINE rxnorm
TOLTERODINE TARTRATE rxnorm
DETROL rxnorm
DETROL clinicaltrials
DETRUSITOL clinicaltrials
TOLTERODINE clinicaltrials
TOLTERODINE L-TARTRATE clinicaltrials
TOLTERODINE TARTRATE clinicaltrials
HY-A0024 MedChemExpress
DTXSID3023687 EPA CompTox Dashboard
2705 DrugCentral
ZINC000000968336 ZINC
360 Guide to Pharmacology
J561.859B Nikkaji
50165008 BindingDB
CB4128443 ChemicalBook
CB1128442 ChemicalBook
The data in this table is sourced from UniChem at EBI.