Dataset

Mepacrine

This MassBank record with Accession MSBNK-Fiocruz-FIO00465 contains the MS2 mass spectrum of Mepacrine with the InChIkey GPKJTRJOBQGKQK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
SMILES CCN(CC)CCCC(C)Nc(c21)c(c3)c(ccc(OC)3)nc(cc(Cl)cc2)1
InChI Key GPKJTRJOBQGKQK-UHFFFAOYSA-N
Molecular Formula C23H30ClN3O
Exact Mass 399.208 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-Fiocruz-FIO00465
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:40:56.341359
MetadataModified 2024-01-11T16:40:56.526376
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL7568 ChEMBL
C07339 KEGG Ligand
8711 ChEBI
DB01103 DrugBank
1221687 eMolecules
27523606 eMolecules
50015214 BindingDB
QUINACRINE rxnorm
QUINACRINE HYDROCHLORIDE clinicaltrials
ATABRINE clinicaltrials
2338 DrugCentral
MEPACRINE clinicaltrials
H0C805XYDE FDA SRS
DTXSID7022627 EPA CompTox Dashboard
QUINACRINE clinicaltrials
171917 Brenda
HMDB0015235 Human Metabolome Database
1593 Brenda
98049 Brenda
105492 Brenda
107156 Brenda
44829 Brenda
10172 Guide to Pharmacology
14781277 PubChem: Thomson Pharma
5181 Brenda
38969 Brenda
29761 Brenda
237 PubChem
PD009806 ProbesDrugs
CB7138654 ChemicalBook
PA164745551 PharmGKB
SCHEMBL19225 SureChEMBL
83-89-6 ACToR
66777-81-9 ACToR
LSM-1577 LINCS
MCULE-3049117865 Mcule
J3.877F Nikkaji
The data in this table is sourced from UniChem at EBI.