Dataset

Clopidogrel

This MassBank record with Accession MSBNK-Athens_Univ-AU228401 contains the MS2 mass spectrum of Clopidogrel with the InChIkey GKTWGGQPFAXNFI-HNNXBMFYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
SMILES COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2
InChI Key GKTWGGQPFAXNFI-HNNXBMFYSA-N
Molecular Formula C16H16ClNO2S
Exact Mass 321.059 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-AU228401
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:13:51.118608
MetadataModified 2025-02-08T19:11:09.976326
MetadataPublished 2018-12-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
clopidogrel DailyMed
161060 Brenda
HMDB0005011 Human Metabolome Database
SCHEMBL4769 SureChEMBL
MCULE-9061369538 Mcule
60606 PubChem
14899359 PubChem: Thomson Pharma
PD003042 ProbesDrugs
A74586SNO7 FDA SRS
14923888 PubChem: Thomson Pharma
113665-84-2 ACToR
PA449053 PharmGKB
LSM-5415 LINCS
2735330 eMolecules
DB00758 DrugBank
CHEMBL1771 ChEMBL
37941 ChEBI
SAM002589956 NIH Clinical Collection
CGE PDBe
CLOPIDOGREL SULFATE clinicaltrials
R 130964 clinicaltrials
R-130964 clinicaltrials
SR-25990 clinicaltrials
SR-25990C clinicaltrials
SR 25990 clinicaltrials
SR 25990C clinicaltrials
HY-15283 MedChemExpress
DTXSID6022848 EPA CompTox Dashboard
708 DrugCentral
7150 Guide to Pharmacology
J691.232J Nikkaji
50318910 BindingDB
50397662 BindingDB
CLOPIDOGREL DailyMed
PLAVIX rxnorm
CLOPIDOGREL rxnorm
CLOPIDOGREL BISULFATE rxnorm
PIDOGREL clinicaltrials
PLAVIX clinicaltrials
CLOPIDOGREL clinicaltrials
CLOPIDOGREL BISULFATE clinicaltrials
CLOPIDOGREL HYDROGEN SULFATE clinicaltrials
ZINC000034781704 ZINC
The data in this table is sourced from UniChem at EBI.