Dataset

Dasatinib

This MassBank record with Accession MSBNK-Eawag-EQ01069003 contains the MS2 mass spectrum of Dasatinib with the InChIkey ZBNZXTGUTAYRHI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
SMILES CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
InChI Key ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Molecular Formula C22H26ClN7O2S
Exact Mass 487.156 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-EQ01069003
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:55:49.493311
MetadataModified 2025-02-09T09:55:49.680398
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB01254 DrugBank
CHEMBL1421 ChEMBL
1N1 PDBe
12015788 PubChem: Drugs of the Future
DASATINIB rxnorm
CB81565483 ChemicalBook
DASATINIB clinicaltrials
DASATINIB HYDRATE clinicaltrials
BMS-354825 clinicaltrials
BMS-354825-03 clinicaltrials
DASATINIB MONOHYDRATE clinicaltrials
SPRYCEL clinicaltrials
HY-10181 MedChemExpress
DTXSID4040979 EPA CompTox Dashboard
785 DrugCentral
5678 Guide to Pharmacology
J2.086.852J Nikkaji
RAVPUB CCDC
13216 BindingDB
DASATINIB DailyMed
DASATINIB ANHYDROUS rxnorm
SPRYCEL rxnorm
49375 ChEBI
SCHEMBL8226 SureChEMBL
5015 Brenda
HMDB0015384 Human Metabolome Database
CB4506696 ChemicalBook
dasatinib DailyMed
ZINC000003986735 ZINC
3062316 PubChem
PD003446 ProbesDrugs
X78UG0A0RN FDA SRS
Dasatinib Atlas
14859389 PubChem: Thomson Pharma
302962-49-8 ACToR
PA162372878 PharmGKB
Dasatinib Selleck
LSM-1020 LINCS
10748986 eMolecules
The data in this table is sourced from UniChem at EBI.