Dataset

Praziquantel

This MassBank record with Accession MSBNK-Fiocruz-FIO00342 contains the MS2 mass spectrum of Praziquantel with the InChIkey FSVJFNAIGNNGKK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
SMILES C(C4)CCC(C4)C(=O)N(C1)CC(c32)N(CCc(cccc3)2)C(=O)1
InChI Key FSVJFNAIGNNGKK-UHFFFAOYSA-N
Molecular Formula C19H24N2O2
Exact Mass 312.184 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-FIO00342
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:38:16.420209
MetadataModified 2024-01-11T16:38:16.660696
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.787A Nikkaji
SCHEMBL44153 SureChEMBL
J457.026J Nikkaji
SCHEMBL16019896 SureChEMBL
20109353 NMRShiftDB
MCULE-1638759858 Mcule
74574 BindingDB
6490C9U457 FDA SRS
91583 ChEBI
DTXSID9021182 EPA CompTox Dashboard
2241 DrugCentral
BILTRICIDE clinicaltrials
CYSTICIDE clinicaltrials
BILTRICIDE rxnorm
PRAZIQUANTEL clinicaltrials
EMBAY 8440 clinicaltrials
PRAZIQUANTEL rxnorm
HY-B0244 MedChemExpress
EMBAY-8440 clinicaltrials
DRONCIT rxnorm
PRAZIQUANTEL DailyMed
55268-74-1 ACToR
57452-31-0 ACToR
Praziquantel(Biltricide) Selleck
Praziquantel Atlas
15272465 PubChem: Thomson Pharma
PD001793 ProbesDrugs
135526-78-2 ACToR
LSM-1387 LINCS
4891 PubChem
CB8178956 ChemicalBook
MolPort-001-926-470 MolPort
HMDB0015191 Human Metabolome Database
13867 Brenda
PA164764583 PharmGKB
praziquantel DailyMed
DB01058 DrugBank
12015327 PubChem: Drugs of the Future
CHEMBL976 ChEMBL
SAM002264632 NIH Clinical Collection
C07367 KEGG Ligand
511675 eMolecules
The data in this table is sourced from UniChem at EBI.