Dataset

Clomipramine

This MassBank record with Accession MSBNK-Waters-WA000981 contains the MS mass spectrum of Clomipramine with the InChIkey GDLIGKIOYRNHDA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
SMILES	CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
InChI Key	GDLIGKIOYRNHDA-UHFFFAOYSA-N
Molecular Formula	C19H23ClN2
Exact Mass	314.155 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-WA000981
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:35:29.594198
MetadataModified	2025-02-09T20:20:53.940338
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
2398	Guide to Pharmacology
DB01242	DrugBank
C06918	KEGG Ligand
CHEMBL415	ChEMBL
CXX	PDBe
24402	Brenda
77970	BindingDB
CLOMICALM	rxnorm
CLOMIPRAMINE HYDROCHLORIDE	rxnorm
ANAFRANIL	rxnorm
CLOMIPRAMINE	rxnorm
ANAFRANIL	clinicaltrials
CLOMIPRAMINE HYDROCHLORIDE	clinicaltrials
CLOMICALM	clinicaltrials
CLOMIPRAMINE	clinicaltrials
DTXSID6022844	EPA CompTox Dashboard
701	DrugCentral
ZINC000000020248	ZINC
J8.630D	Nikkaji
CLOMIPRAMINE	DailyMed
15322462	PubChem: Thomson Pharma
2801	PubChem
PD009943	ProbesDrugs
NUV44L116D	FDA SRS
PA449048	PharmGKB
LSM-3171	LINCS
303-49-1	ACToR
SCHEMBL35423	SureChEMBL
clomipramine	Atlas
1883437	eMolecules
HMDB0015372	Human Metabolome Database
CB5173107	ChemicalBook
clomipramine	DailyMed
75632	Brenda
48203	Brenda
4115	Brenda
MCULE-6443168248	Mcule
47780	ChEBI
The data in this table is sourced from UniChem at EBI.