Dataset

Clomipramine

This MassBank record with Accession MSBNK-Waters-WA000982 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

ClomipramineHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000982
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:16.088352
MetadataModified	2024-01-11T22:50:16.254659
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0015372	Human Metabolome Database
4115	Brenda
48203	Brenda
75632	Brenda
CB5173107	ChemicalBook
24402	Brenda
clomipramine	DailyMed
MolPort-002-051-949	MolPort
15322462	PubChem: Thomson Pharma
2801	PubChem
PD009943	ProbesDrugs
NUV44L116D	FDA SRS
PA449048	PharmGKB
LSM-3171	LINCS
303-49-1	ACToR
SCHEMBL35423	SureChEMBL
clomipramine	Atlas
CHEMBL415	ChEMBL
C06918	KEGG Ligand
CXX	PDBe
2398	Guide to Pharmacology
DB01242	DrugBank
1883437	eMolecules
CLOMICALM	clinicaltrials
CLOMIPRAMINE HYDROCHLORIDE	clinicaltrials
ANAFRANIL	clinicaltrials
CLOMIPRAMINE	rxnorm
ANAFRANIL	rxnorm
CLOMIPRAMINE HYDROCHLORIDE	rxnorm
CLOMICALM	rxnorm
CLOMIPRAMINE	DailyMed
MolPort-047-115-334	MolPort
DTXSID6022844	EPA CompTox Dashboard
701	DrugCentral
CLOMIPRAMINE	clinicaltrials
ZINC000000020248	ZINC
77970	BindingDB
J8.630D	Nikkaji
47780	ChEBI
MCULE-6443168248	Mcule
The data in this table is sourced from UniChem at EBI.