Dataset

Chlorpromazine

This MassBank record with Accession MSBNK-Athens_Univ-AU112104 contains the MS2 mass spectrum of Chlorpromazine with the InChIkey ZPEIMTDSQAKGNT-UHFFFAOYSA-N.

Chemical Info

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)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
InChI Key	ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Molecular Formula	C17H19ClN2S
Exact Mass	318.096 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU112104
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:49:09.203301
MetadataModified	2024-01-11T09:49:09.346076
MetadataPublished	2015-09-22

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.