Dataset

Verapamil

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82330 contains the MS mass spectrum of Verapamil with the InChIkey SGTNSNPWRIOYBX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
SMILES	CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
InChI Key	SGTNSNPWRIOYBX-UHFFFAOYSA-N
Molecular Formula	C27H38N2O4
Exact Mass	454.283 g/mol

Data and Resources

VerapamilHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82330
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:17.651599
MetadataModified	2024-01-11T22:26:17.810158
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0001850	Human Metabolome Database
CB5376232	ChemicalBook
2815	DrugCentral
35098	Brenda
PA451868	PharmGKB
196828	Brenda
verapamil	DailyMed
CJ0O37KU29	FDA SRS
81939	BindingDB
HY-14275	MedChemExpress
COVERA	clinicaltrials
230199	Brenda
230200	Brenda
VERAPAMIL	DailyMed
ISOPTIN	rxnorm
CALAN	rxnorm
DTXSID9041152	EPA CompTox Dashboard
TARKA	rxnorm
VERAPAMIL HYDROCHLORIDE	rxnorm
VERAPAMIL	rxnorm
VERELAN	rxnorm
ISOPTIN	clinicaltrials
D-365	clinicaltrials
VERAPAMIL	clinicaltrials
VERAPAMIL HYDROCHLORIDE	clinicaltrials
VERELAN	clinicaltrials
CALAN	clinicaltrials
J332.327G	Nikkaji
J4.132G	Nikkaji
249763	Brenda
MCULE-3016077278	Mcule
77733	ChEBI
249762	Brenda
2520	PubChem
PD009864	ProbesDrugs
LSM-1298	LINCS
14784349	PubChem: Thomson Pharma
SCHEMBL16742	SureChEMBL
56949-77-0	ACToR
52-53-9	ACToR
CHEMBL6966	ChEMBL
2406	Guide to Pharmacology
C07188	KEGG Ligand
DB00661	DrugBank
1934651	eMolecules
The data in this table is sourced from UniChem at EBI.