Dataset

Lapatinib

This MassBank record with Accession MSBNK-Athens_Univ-AU252501 contains the MS2 mass spectrum of Lapatinib with the InChIkey BCFGMOOMADDAQU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
SMILES CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1
InChI Key BCFGMOOMADDAQU-UHFFFAOYSA-N
Molecular Formula C29H26ClFN4O4S
Exact Mass 580.135 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-Athens_Univ-AU252501
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:10:02.032773
MetadataModified 2025-02-08T19:08:34.673313
MetadataPublished 2019-04-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LAPATINIB DITOSYLATE rxnorm
LAPATINIB DailyMed
LAPATINIB rxnorm
LAPATINIB DITOSYLATE MONOHYDRATE clinicaltrials
TYKERB clinicaltrials
TYVERB clinicaltrials
GSK-572016 clinicaltrials
LAPATINIB clinicaltrials
LAPATINIB DITOSYLATE clinicaltrials
HY-50898 MedChemExpress
GW-572016 clinicaltrials
GW572016 clinicaltrials
DTXSID7046675 EPA CompTox Dashboard
1548 DrugCentral
ZINC000001550477 ZINC
5692 Guide to Pharmacology
J1.859.987B Nikkaji
OVAYOB CCDC
5445 BindingDB
TYKERB rxnorm
DB01259 DrugBank
CHEMBL554 ChEMBL
FMM PDBe
6757269 eMolecules
PD003505 ProbesDrugs
lapatinib Atlas
0VUA21238F FDA SRS
LSM-1051 LINCS
14911387 PubChem: Thomson Pharma
PA152241907 PharmGKB
lapatinib Selleck
231277-92-2 ACToR
CB8855402 ChemicalBook
lapatinib DailyMed
213440 Brenda
HMDB0015388 Human Metabolome Database
49603 ChEBI
208908 PubChem
SCHEMBL8100 SureChEMBL
The data in this table is sourced from UniChem at EBI.