Dataset

Lercanidipine

This MassBank record with Accession MSBNK-Eawag-EQ01162806 contains the MS2 mass spectrum of Lercanidipine with the InChIkey ZDXUKAKRHYTAKV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3
SMILES CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI Key ZDXUKAKRHYTAKV-UHFFFAOYSA-N
Molecular Formula C36H41N3O6
Exact Mass 611.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01162806
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:09:07.039279
MetadataModified 2025-02-09T10:09:07.262343
MetadataPublished 2024-01-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2762147672 Mcule
SCHEMBL25268 SureChEMBL
HMDB0014669 Human Metabolome Database
196829 Brenda
65866 PubChem
PD009976 ProbesDrugs
14789544 PubChem: Thomson Pharma
PA164769058 PharmGKB
100427-26-7 ACToR
2728747 eMolecules
CARDIOVASC clinicaltrials
LERCANIDIPINE HYDROCHLORIDE clinicaltrials
HY-B0612 MedChemExpress
V7XTJ4R0BH FDA SRS
DTXSID2048327 EPA CompTox Dashboard
4157 DrugCentral
135930 ChEBI
LERCANIDIPINE HYDROCHLORIDE rxnorm
LERCANIDIPINE rxnorm
LERCANIDIPINE clinicaltrials
CB4133658 ChemicalBook
CHEMBL250270 ChEMBL
DB00528 DrugBank
The data in this table is sourced from UniChem at EBI.