Dataset

Clotrimazole

This MassBank record with Accession MSBNK-Athens_Univ-AU268906 contains the MS2 mass spectrum of Clotrimazole with the InChIkey VNFPBHJOKIVQEB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
SMILES ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key VNFPBHJOKIVQEB-UHFFFAOYSA-N
Molecular Formula C22H17ClN2
Exact Mass 344.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU268906
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:52:50.812635
MetadataModified 2025-02-08T19:11:43.049405
MetadataPublished 2019-05-30
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00257 DrugBank
C06922 KEGG Ligand
CL6 PDBe
3764 ChEBI
SAM001247056 NIH Clinical Collection
2330 Guide to Pharmacology
CHEMBL104 ChEMBL
CLOTRIMAZOLE DailyMed
CLOTRIMAZOLE rxnorm
LOTRIMIN rxnorm
MYCELEX clinicaltrials
LOTRIMIN clinicaltrials
CLOTRIMAZOLE clinicaltrials
31774 BindingDB
HY-10882 MedChemExpress
1496 Brenda
DTXSID7029871 EPA CompTox Dashboard
719 DrugCentral
J3.156I Nikkaji
PUVRIH CCDC
GYNE-LOTRIMIN clinicaltrials
2812 PubChem
PD002411 ProbesDrugs
SVT-15652 clinicaltrials
clotrimazole Atlas
G07GZ97H65 FDA SRS
LSM-5341 LINCS
23593-75-1 ACToR
117829-71-7 ACToR
SCHEMBL3850 SureChEMBL
PA449057 PharmGKB
Clotrimazole(Canesten) Selleck
14802606 PubChem: Thomson Pharma
499093 eMolecules
48919 Brenda
48920 Brenda
HMDB0001922 Human Metabolome Database
ZINC000003807804 ZINC
CB7404063 ChemicalBook
clotrimazole DailyMed
MCULE-6862012558 Mcule
The data in this table is sourced from UniChem at EBI.