Dataset

Irbesartan

This MassBank record with Accession MSBNK-Waters-WA001037 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-WA001037
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:36.493701
MetadataModified 2024-01-11T22:50:36.677142
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
901986 eMolecules
32278040 eMolecules
14758693 PubChem: Thomson Pharma
J0E2756Z7N FDA SRS
14905264 PubChem: Thomson Pharma
Irbesartan(Avapro) Selleck
138402-11-6 ACToR
SCHEMBL4246 SureChEMBL
LSM-3338 LINCS
3749 PubChem
CB04918833 ChemicalBook
PD001208 ProbesDrugs
6908 Guide to Pharmacology
MCULE-9617953373 Mcule
NOZWII CCDC
J549.417F Nikkaji
SR-47436 clinicaltrials
ZINC000003872931 ZINC
SR 47436 clinicaltrials
BMS-186295 clinicaltrials
IRBESARTAN clinicaltrials
KARVEA clinicaltrials
AVAPRO rxnorm
IRBESARTAN rxnorm
HY-B0202 MedChemExpress
IRBESARTAN DailyMed
DTXSID0023169 EPA CompTox Dashboard
50042235 BindingDB
AVAPRO clinicaltrials
1481 DrugCentral
PA450084 PharmGKB
196827 Brenda
HMDB0015163 Human Metabolome Database
CB4454663 ChemicalBook
irbesartan DailyMed
The data in this table is sourced from UniChem at EBI.