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CHEBI:752556 - acotiamide hydrochloride

Default Structure
ChEBI IDCHEBI:752556
ChEBI Nameacotiamide hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C21H30N4O5S.HCl.H2O.H2O
Net Charge0
Average Mass541.067
Monoisotopic Mass540.20206
SMILESCOc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl.O.O.O
InChIInChI=1S/C21H30N4O5S.ClH.3H2O/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;;;;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H;3*1H2
InChIKeyNPTDXIXCQCFGKC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
acotiamide hydrochloride (CHEBI:752556) is a methoxybenzenes (CHEBI:51683)
acotiamide hydrochloride (CHEBI:752556) is a phenols (CHEBI:33853)
Synonyms  Source
Acotiamide hydrochloride trihydrateChEMBL
YM-443ChEMBL
YM443ChEMBL