Dataset

Chlorprothixene

This MassBank record with Accession MSBNK-Waters-WA001577 contains the MS mass spectrum of Chlorprothixene with the InChIkey WSPOMRSOLSGNFJ-AUWJEWJLSA-N.

Chemical Info

InChI	InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
SMILES	CN(C)CCC=C(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key	WSPOMRSOLSGNFJ-AUWJEWJLSA-N
Molecular Formula	C18H18ClNS
Exact Mass	315.085 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001577
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:45:59.558434
MetadataModified	2024-01-11T22:45:59.729980
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C07953	KEGG Ligand
CHEMBL908	ChEMBL
50931	ChEBI
CHLORPROTHIXENE	rxnorm
CHLORPROTHIXENE	clinicaltrials
HY-B0274	MedChemExpress
50240514	BindingDB
623	DrugCentral
ZINC000000001137	ZINC
TARACTAN	clinicaltrials
MCULE-7149047798	Mcule
DB01239	DrugBank
CB6361448	ChemicalBook
667467	PubChem
PD012153	ProbesDrugs
9S7OD60EWP	FDA SRS
SCHEMBL94235	SureChEMBL
Chlorprothixene	Selleck
14950525	PubChem: Thomson Pharma
J52.995H	Nikkaji
CMAPTX	CCDC
The data in this table is sourced from UniChem at EBI.