Dataset

Chlorpromazin

This MassBank record with Accession MSBNK-Waters-WA001314 contains the MS mass spectrum of Chlorpromazin with the InChIkey ZPEIMTDSQAKGNT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
SMILES CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Molecular Formula C17H19ClN2S
Exact Mass 318.096 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-WA001314
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:51.394815
MetadataModified 2024-01-11T22:50:51.581265
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD010004 ProbesDrugs
chlorpromazine Atlas
U42B7VYA4P FDA SRS
LSM-4017 LINCS
2726 PubChem
50-53-3 ACToR
34468-21-8 ACToR
PA448964 PharmGKB
14923746 PubChem: Thomson Pharma
SCHEMBL8321 SureChEMBL
CPROMZ CCDC
J2.794D Nikkaji
MCULE-5976054678 Mcule
145046 Brenda
CB5547531 ChemicalBook
chlorpromazine DailyMed
HMDB0014620 Human Metabolome Database
75626 Brenda
113197 Brenda
727 Brenda
74854 Brenda
145960 Brenda
6497 Brenda
162818 Brenda
50001888 BindingDB
CHLORPROMAZINE DailyMed
229267 Brenda
229268 Brenda
CHLORPROMAZINE HYDROCHLORIDE rxnorm
ZINC000000044027 ZINC
CHLORPROMAZINE clinicaltrials
THORAZINE clinicaltrials
CHLORPROMAZINE HYDROCHLORIDE clinicaltrials
DTXSID0022808 EPA CompTox Dashboard
621 DrugCentral
CHLORPROMAZINE rxnorm
DB00477 DrugBank
12014508 PubChem: Drugs of the Future
C06906 KEGG Ligand
CHEMBL71 ChEMBL
Z80 PDBe
3647 ChEBI
83 Guide to Pharmacology
730270 eMolecules
The data in this table is sourced from UniChem at EBI.