Dataset

Amlodipine

This MassBank record with Accession MSBNK-Waters-WA001846 contains the MS mass spectrum of Amlodipine with the InChIkey HTIQEAQVCYTUBX-KRWDZBQOSA-N.

InChI	InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
SMILES	NCCOCC(N1)=C(C(=O)OCC)C(c(c2)c(Cl)ccc2)C(C(=O)OC)=C(C)1
InChI Key	HTIQEAQVCYTUBX-KRWDZBQOSA-N
Molecular Formula	C20H25ClN2O5
Exact Mass	408.145 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001846
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:15.369941
MetadataModified	2024-01-11T22:49:15.516332
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-14744	MedChemExpress
LEVAMLODIPINE	clinicaltrials
LEVAMLODIPINE	rxnorm
LEVAMLODIPINE	DailyMed
4099	DrugCentral
6UB	PDBe
DB09237	DrugBank
SCHEMBL41283	SureChEMBL
J512.131K	Nikkaji
ZINC000100001964	ZINC
CB2511519	ChemicalBook
MolPort-006-392-244	MolPort
14806267	PubChem: Thomson Pharma
14781769	PubChem: Thomson Pharma
9822750	PubChem
PD008989	ProbesDrugs
LEVAMLODIPINE MALEATE	clinicaltrials
0P6NLP6806	FDA SRS
CHEMBL2111097	ChEMBL
27516200	eMolecules
53796	ChEBI
The data in this table is sourced from UniChem at EBI.