Dataset

Nevirapine

This MassBank record with Accession MSBNK-Eawag-EQ01149805 contains the MS2 mass spectrum of Nevirapine with the InChIkey NQDJXKOVJZTUJA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
SMILES CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI Key NQDJXKOVJZTUJA-UHFFFAOYSA-N
Molecular Formula C15H14N4O
Exact Mass 266.117 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-EQ01149805
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:59:28.013671
MetadataModified 2025-02-09T09:59:28.182133
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4463 PubChem
60032853 NMRShiftDB
PD000851 ProbesDrugs
63613 ChEBI
99DK7FVK1H FDA SRS
14872507 PubChem: Thomson Pharma
129618-40-2 ACToR
SCHEMBL3318 SureChEMBL
PA450616 PharmGKB
Nevirapine(Viramune) Selleck
LSM-5336 LINCS
766252 eMolecules
CB9743074 ChemicalBook
nevirapine DailyMed
HMDB0014383 Human Metabolome Database
1896 Brenda
MCULE-8608154492 Mcule
SAM001246551 NIH Clinical Collection
NVP PDBe
12014582 PubChem: Drugs of the Future
C07263 KEGG Ligand
DB00238 DrugBank
CHEMBL57 ChEMBL
1904 DrugCentral
ZINC000000004778 ZINC
DTXSID7031797 EPA CompTox Dashboard
HY-10570 MedChemExpress
BIRG-0587 clinicaltrials
BIRG 0587 clinicaltrials
VIRAMUNE clinicaltrials
NEVIRAPINE clinicaltrials
VIRAMUNE rxnorm
NEVIRAPINE rxnorm
NEVIRAPINE DailyMed
PABHIJ CCDC
J420.601K Nikkaji
1434 BindingDB
The data in this table is sourced from UniChem at EBI.