Dataset

Apalutamide

This MassBank record with Accession MSBNK-Eawag-EQ01103056 contains the MS2 mass spectrum of Apalutamide with the InChIkey HJBWBFZLDZWPHF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
SMILES CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F
InChI Key HJBWBFZLDZWPHF-UHFFFAOYSA-N
Molecular Formula C21H15F4N5O2S
Exact Mass 477.088 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-EQ01103056
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:47:25.960127
MetadataModified 2025-02-09T09:47:26.128520
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB92593622 ChemicalBook
FAVYEK CCDC
DB11901 DrugBank
5278 DrugCentral
LSM-45475 LINCS
arn-509 Selleck
J3.239.948G Nikkaji
9043 Guide to Pharmacology
DTXSID40241899 EPA CompTox Dashboard
50094975 BindingDB
APALUTAMIDE DailyMed
APALUTAMIDE rxnorm
ERLEADA rxnorm
ARN-509 clinicaltrials
JNJ-56021927 clinicaltrials
APALUTAMIDE clinicaltrials
ERLEADA clinicaltrials
HY-16060 MedChemExpress
SCHEMBL909297 SureChEMBL
CHEMBL3183409 ChEMBL
HMDB0248608 Human Metabolome Database
ZINC000043174901 ZINC
24872560 PubChem
4T36H88UA7 FDA SRS
PD010552 ProbesDrugs
50127665 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.