Dataset

Irbesartan

This MassBank record with Accession MSBNK-Waters-WA001039 contains the MS mass spectrum of Irbesartan with the InChIkey YOSHYTLCDANDAN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Molecular Formula C25H28N6O
Exact Mass 428.232 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-WA001039
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:38.202467
MetadataModified 2024-01-11T22:48:38.375865
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1513 ChEMBL
DB01029 DrugBank
C07469 KEGG Ligand
5959 ChEBI
589 Guide to Pharmacology
SAM001246548 NIH Clinical Collection
12014641 PubChem: Drugs of the Future
IRBESARTAN DailyMed
50042235 BindingDB
AVAPRO rxnorm
KARVEA clinicaltrials
IRBESARTAN clinicaltrials
BMS-186295 clinicaltrials
SR 47436 clinicaltrials
SR-47436 clinicaltrials
AVAPRO clinicaltrials
HY-B0202 MedChemExpress
DTXSID0023169 EPA CompTox Dashboard
ZINC000003872931 ZINC
6908 Guide to Pharmacology
J549.417F Nikkaji
NOZWII CCDC
IRBESARTAN rxnorm
14758693 PubChem: Thomson Pharma
14905264 PubChem: Thomson Pharma
Irbesartan(Avapro) Selleck
138402-11-6 ACToR
SCHEMBL4246 SureChEMBL
LSM-3338 LINCS
J0E2756Z7N FDA SRS
CB04918833 ChemicalBook
PD001208 ProbesDrugs
irbesartan DailyMed
HMDB0015163 Human Metabolome Database
CB4454663 ChemicalBook
196827 Brenda
PA450084 PharmGKB
1481 DrugCentral
MCULE-9617953373 Mcule
3749 PubChem
901986 eMolecules
32278040 eMolecules
The data in this table is sourced from UniChem at EBI.