Dataset

Praziquantel

This MassBank record with Accession MSBNK-Fiocruz-FIO00345 contains the MS2 mass spectrum of Praziquantel with the InChIkey FSVJFNAIGNNGKK-UHFFFAOYSA-N.

Chemical Info

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

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00345
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:40:49.585904
MetadataModified	2024-01-11T16:40:49.754607
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL16019896	SureChEMBL
SCHEMBL44153	SureChEMBL
MCULE-1638759858	Mcule
20109353	NMRShiftDB
J2.787A	Nikkaji
J457.026J	Nikkaji
15272465	PubChem: Thomson Pharma
PD001793	ProbesDrugs
4891	PubChem
55268-74-1	ACToR
135526-78-2	ACToR
Praziquantel	Atlas
LSM-1387	LINCS
Praziquantel(Biltricide)	Selleck
57452-31-0	ACToR
13867	Brenda
praziquantel	DailyMed
CB8178956	ChemicalBook
PA164764583	PharmGKB
HMDB0015191	Human Metabolome Database
EMBAY-8440	clinicaltrials
EMBAY 8440	clinicaltrials
HY-B0244	MedChemExpress
6490C9U457	FDA SRS
91583	ChEBI
DTXSID9021182	EPA CompTox Dashboard
2241	DrugCentral
74574	BindingDB
PRAZIQUANTEL	DailyMed
BILTRICIDE	rxnorm
DRONCIT	rxnorm
PRAZIQUANTEL	rxnorm
PRAZIQUANTEL	clinicaltrials
BILTRICIDE	clinicaltrials
CYSTICIDE	clinicaltrials
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.