Dataset

Terfenadine

This MassBank record with Accession MSBNK-Waters-WA000466 contains the MS mass spectrum of Terfenadine with the InChIkey GUGOEEXESWIERI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
SMILES C(c(c4)cccc4)(c(c3)cccc3)(C(C2)CCN(C2)CCCC(O)c(c1)ccc(C(C)(C)C)c1)O
InChI Key GUGOEEXESWIERI-UHFFFAOYSA-N
Molecular Formula C32H41NO2
Exact Mass 471.314 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-WA000466
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:44.981186
MetadataModified 2024-01-11T22:45:45.182295
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL17157 ChEMBL
C07463 KEGG Ligand
12013836 PubChem: Drugs of the Future
DB00342 DrugBank
2608 Guide to Pharmacology
5405 PubChem
PD000887 ProbesDrugs
LSM-1273 LINCS
14907543 PubChem: Thomson Pharma
50679-08-8 ACToR
PA451619 PharmGKB
SCHEMBL5152 SureChEMBL
J434.879F Nikkaji
J9.749G Nikkaji
230136 Brenda
2600 DrugCentral
50017376 BindingDB
230135 Brenda
9453 ChEBI
TERFENADINE rxnorm
TERFENADINE clinicaltrials
MCULE-8216311776 Mcule
HY-B1193 MedChemExpress
7BA5G9Y06Q FDA SRS
DTXSID2023642 EPA CompTox Dashboard
CB7695393 ChemicalBook
HMDB0014486 Human Metabolome Database
595223 eMolecules
36985 Brenda
The data in this table is sourced from UniChem at EBI.