Dataset

CANDESARTAN CILEXETIL

This MassBank record with Accession MSBNK-UPAO-UPA00014 contains the MS2 mass spectrum of CANDESARTAN CILEXETIL with the InChIkey GHOSNRCGJFBJIB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)
SMILES	CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
InChI Key	GHOSNRCGJFBJIB-UHFFFAOYSA-N
Molecular Formula	C33H34N6O6
Exact Mass	610.254 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00014
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:10:02.178043
MetadataModified	2025-02-09T19:56:32.121754
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1014	ChEMBL
12014669	PubChem: Drugs of the Future
CANDESARTAN CILEXETIL	DailyMed
50318907	BindingDB
ATACAND	rxnorm
CANDESARTAN CILEXETIL	clinicaltrials
ATACAND	clinicaltrials
TCV-116	clinicaltrials
HY-17505	MedChemExpress
R85M2X0D68	FDA SRS
8352	Guide to Pharmacology
3348	ChEBI
DTXSID5020239	EPA CompTox Dashboard
475	DrugCentral
J1.640.921I	Nikkaji
HMDB0249581	Human Metabolome Database
CANDESARTAN CILEXETIL	rxnorm
Candesartan-cilexetil-Atacand	Selleck
LSM-1716	LINCS
145040-37-5	ACToR
14887395	PubChem: Thomson Pharma
2540	PubChem
57582538	PubChem: Thomson Pharma
PD001206	ProbesDrugs
1985914	eMolecules
SCHEMBL40831	SureChEMBL
CB3209325	ChemicalBook
candesartan cilexetil	DailyMed
DB00796	DrugBank
The data in this table is sourced from UniChem at EBI.