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
902580 eMolecules
ticlopidine DailyMed
HMDB0014353 Human Metabolome Database
155123 Brenda
OM90ZUW7M1 FDA SRS
ZINC000019594599 ZINC
5472 PubChem
15197138 PubChem: Thomson Pharma
PD010172 ProbesDrugs
55142-85-3 ACToR
SCHEMBL4204 SureChEMBL
ticlopidine Atlas
PA451686 PharmGKB
LSM-1986 LINCS
MCULE-3971692083 Mcule
DTXSID5023669 EPA CompTox Dashboard
2657 DrugCentral
TICLID rxnorm
TICLOPIDINE HYDROCHLORIDE rxnorm
7307 Guide to Pharmacology
TICLOPIDINE rxnorm
TICLOPIDINE clinicaltrials
TICLOPIDINE HYDROCHLORIDE clinicaltrials
TICLID clinicaltrials
53-32C clinicaltrials
85509 BindingDB
TICLOPIDINE DailyMed
CB7674370 ChemicalBook
J11.390E Nikkaji
CHEMBL833 ChEMBL
C07140 KEGG Ligand
TIC PDBe
9588 ChEBI
DB00208 DrugBank
The data in this table is sourced from UniChem at EBI.