Dataset

Apraclonidine

This MassBank record with Accession MSBNK-Eawag-EQ01078301 contains the MS2 mass spectrum of Apraclonidine with the InChIkey IEJXVRYNEISIKR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
SMILES	C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl
InChI Key	IEJXVRYNEISIKR-UHFFFAOYSA-N
Molecular Formula	C9H10Cl2N4
Exact Mass	244.028 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01078301
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:31:52.116011
MetadataModified	2025-02-09T09:31:52.342656
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C07668	KEGG Ligand
2788	ChEBI
DB00964	DrugBank
CHEMBL647	ChEMBL
APRACLONIDINE	DailyMed
APRACLONIDINE HYDROCHLORIDE	rxnorm
IOPIDINE	rxnorm
APRACLONIDINE	rxnorm
IOPIDINE	clinicaltrials
APRACLONIDINE	clinicaltrials
81926	BindingDB
DTXSID1048415	EPA CompTox Dashboard
229	DrugCentral
ZINC000000020231	ZINC
7117	Guide to Pharmacology
J247.956G	Nikkaji
50021812	BindingDB
APRACLONIDINE HYDROCHLORIDE	clinicaltrials
PA164748866	PharmGKB
apraclonidine	DailyMed
HMDB0015099	Human Metabolome Database
2216	PubChem
PD009614	ProbesDrugs
843CEN85DI	FDA SRS
16363243	PubChem: Thomson Pharma
SCHEMBL34127	SureChEMBL
14749680	PubChem: Thomson Pharma
66711-21-5	ACToR
The data in this table is sourced from UniChem at EBI.