Dataset

Mebendazole

This MassBank record with Accession MSBNK-Athens_Univ-AU106405 contains the MS2 mass spectrum of Mebendazole with the InChIkey OPXLLQIJSORQAM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
SMILES	COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3
InChI Key	OPXLLQIJSORQAM-UHFFFAOYSA-N
Molecular Formula	C16H13N3O3
Exact Mass	295.096 g/mol

Data and Resources

MebendazoleHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU106405
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:41:58.111356
MetadataModified	2024-01-11T09:41:58.270524
MetadataPublished	2015-09-22

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL685	ChEMBL
6704	ChEBI
DB00643	DrugBank
511302	eMolecules
740153	eMolecules
MEBENDAZOLE	clinicaltrials
MEBENDAZOLE POLYMORPH C	clinicaltrials
HY-17595	MedChemExpress
DTXSID4040682	EPA CompTox Dashboard
1641	DrugCentral
ZINC000000121541	ZINC
SIYTED	CCDC
MEBENDAZOLE	DailyMed
EMVERM	rxnorm
MEBENDAZOLE	rxnorm
VERMOX	rxnorm
R-17635	clinicaltrials
R 17,635	clinicaltrials
VERMOX	clinicaltrials
SAM002548959	NIH Clinical Collection
CB8700094	ChemicalBook
HMDB0014781	Human Metabolome Database
4030	PubChem
50180753	BindingDB
77383	Brenda
mebendazole	DailyMed
144214057	PubChem: Thomson Pharma
V95	PDBe
PD001898	ProbesDrugs
81G6I5V05I	FDA SRS
14898153	PubChem: Thomson Pharma
31431-39-7	ACToR
SCHEMBL15860	SureChEMBL
PA164776669	PharmGKB
LSM-3749	LINCS
MCULE-4133611535	Mcule
J2.773A	Nikkaji
The data in this table is sourced from UniChem at EBI.