Dataset

Ticlopidine

This MassBank record with Accession MSBNK-Waters-WA000634 contains the MS mass spectrum of Ticlopidine with the InChIkey PHWBOXQYWZNQIN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
SMILES Clc(c3)c(ccc3)CN(C1)Cc(c2)c(sc2)C1
InChI Key PHWBOXQYWZNQIN-UHFFFAOYSA-N
Molecular Formula C14H14ClNS
Exact Mass 263.054 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-Waters-WA000634
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:31.684836
MetadataModified 2024-01-11T22:50:31.831795
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
53-32C clinicaltrials
TICLOPIDINE DailyMed
CB7674370 ChemicalBook
7307 Guide to Pharmacology
TICLOPIDINE HYDROCHLORIDE rxnorm
TICLOPIDINE rxnorm
85509 BindingDB
TICLID clinicaltrials
TICLID rxnorm
TICLOPIDINE HYDROCHLORIDE clinicaltrials
TICLOPIDINE clinicaltrials
J11.390E Nikkaji
2657 DrugCentral
DTXSID5023669 EPA CompTox Dashboard
OM90ZUW7M1 FDA SRS
CHEMBL833 ChEMBL
C07140 KEGG Ligand
TIC PDBe
9588 ChEBI
DB00208 DrugBank
MCULE-3971692083 Mcule
ZINC000019594599 ZINC
155123 Brenda
ticlopidine DailyMed
HMDB0014353 Human Metabolome Database
902580 eMolecules
5472 PubChem
PD010172 ProbesDrugs
ticlopidine Atlas
LSM-1986 LINCS
15197138 PubChem: Thomson Pharma
SCHEMBL4204 SureChEMBL
PA451686 PharmGKB
55142-85-3 ACToR
The data in this table is sourced from UniChem at EBI.