Dataset

Enalapril

This MassBank record with Accession MSBNK-Waters-WA001937 contains the MS mass spectrum of Enalapril with the InChIkey GBXSMTUPTTWBMN-XIRDDKMYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
SMILES CCOC(=O)C(CCc(c2)cccc2)NC(C)C(=O)N(C1)C(CC1)C(O)=O
InChI Key GBXSMTUPTTWBMN-XIRDDKMYSA-N
Molecular Formula C20H28N2O5
Exact Mass 376.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001937
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:40:31.279092
MetadataModified 2025-02-09T20:25:59.719935
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
NAPRILENE clinicaltrials
C09AA02 clinicaltrials
MK-421 clinicaltrials
RENITEC clinicaltrials
RENIVACE clinicaltrials
ENACARD clinicaltrials
ENALAPRIL clinicaltrials
ENALAPRIL MALEATE clinicaltrials
EPANED clinicaltrials
XANEF clinicaltrials
HY-B0331 MedChemExpress
DTXSID5022982 EPA CompTox Dashboard
1005 DrugCentral
6322 Guide to Pharmacology
J240.110J Nikkaji
50017129 BindingDB
VASOTEC clinicaltrials
INNOVACE clinicaltrials
EPANED rxnorm
VASERETIC rxnorm
ENALAPRIL MALEATE rxnorm
ENALAPRIL rxnorm
ENALAPRIL DailyMed
10999 Brenda
CHEMBL578 ChEMBL
C06977 KEGG Ligand
132375 Brenda
HMDB0014722 Human Metabolome Database
ZINC000003791297 ZINC
enalapril DailyMed
40466924 PubChem
4784 ChEBI
14779899 PubChem: Thomson Pharma
75847-73-3 ACToR
SCHEMBL18 SureChEMBL
LSM-3282 LINCS
69PN84IO1A FDA SRS
DB00584 DrugBank
enalapril Atlas
PD009906 ProbesDrugs
14877707 PubChem: Thomson Pharma
5388962 PubChem
The data in this table is sourced from UniChem at EBI.