9-Aminoacridine, monohydrochloride, monohydrate (CHEBI:228394)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	9-Aminoacridine, monohydrochloride, monohydrate

ChEBI ID	CHEBI:228394

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H10N2.H2O.ClH

Net Charge

Average Mass

248.710

Monoisotopic Mass

248.07164

InChI

InChI=1S/C13H10N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H2,14,15);1H;1H2

InChIKey

OREJEGKBQBIJSJ-UHFFFAOYSA-N

SMILES

Cl.O.N1=C2C(=C(N)C=3C1=CC=CC3)C=CC=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	9-Aminoacridine, monohydrochloride, monohydrate (CHEBI:228394) is a acridines (CHEBI:22213)

IUPAC Name

acridin-9-amine;hydrate;hydrochloride