Dataset

Nitrendipine

This MassBank record with Accession MSBNK-Waters-WA002558 contains the MS mass spectrum of Nitrendipine with the InChIkey PVHUJELLJLJGLN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
SMILES	CCOC(=O)C(=C(C)1)C(c(c2)cc(N(=O)=O)cc2)C(C(=O)OC)=C(C)N1
InChI Key	PVHUJELLJLJGLN-UHFFFAOYSA-N
Molecular Formula	C18H20N2O6
Exact Mass	360.132 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-WA002558
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:45:39.609956
MetadataModified	2024-01-11T22:45:39.769126
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
JEXKUS	CCDC
MCULE-3680092622	Mcule
4507	PubChem
PA146096020	PharmGKB
Nitrendipine	Selleck
14925926	PubChem: Thomson Pharma
39562-70-4	ACToR
7582	ChEBI
PD002662	ProbesDrugs
nitrendipine	Atlas
LSM-1246	LINCS
SCHEMBL38972	SureChEMBL
DTXSID0023373	EPA CompTox Dashboard
1947	DrugCentral
229731	Brenda
229732	Brenda
50237611	BindingDB
NITRENDIPINE	rxnorm
9B627AW319	FDA SRS
BAY-E-5009	clinicaltrials
BAYOTENSIN	clinicaltrials
BAYPRESS	clinicaltrials
NITRENDIPINE	clinicaltrials
HY-B0424	MedChemExpress
BAY E 5009	clinicaltrials
CB2395104	ChemicalBook
HMDB0015187	Human Metabolome Database
12013715	PubChem: Drugs of the Future
DB01054	DrugBank
CHEMBL475534	ChEMBL
2334	Guide to Pharmacology
C07713	KEGG Ligand
592473	eMolecules
The data in this table is sourced from UniChem at EBI.