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CHEBI:229530 - A-438079 hydrochloride hydrate

Default Structure
ChEBI IDCHEBI:229530
ChEBI NameA-438079 hydrochloride hydrate
Stars
Submitterdoughowe
DownloadsMolfile
FormulaC13H9Cl2N5.H2O.HCl
Net Charge0
Average Mass360.632
Monoisotopic Mass359.01074
SMILESClc1cccc(-c2nnnn2Cc2cccnc2)c1Cl.[H]Cl.[H]O[H]
InChIInChI=1S/C13H9Cl2N5.ClH.H2O/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9;;/h1-7H,8H2;1H;1H2
InChIKeyZHFJJBAKSROKNO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
A-438079 hydrochloride hydrate (CHEBI:229530) is a organic molecular entity (CHEBI:50860)
Citations