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CHEBI:756295 - lupitidine hydrochloride

Default Structure
ChEBI IDCHEBI:756295
ChEBI Namelupitidine hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C21H27N5O2S.HCl.HCl
Net Charge0
Average Mass522.930
Monoisotopic Mass521.11858
SMILESCc1ccc(Cc2cnc(NCCSCc3ccc(CN(C)C)o3)nc2=O)cn1.Cl.Cl.Cl
InChIInChI=1S/C21H27N5O2S.3ClH/c1-15-4-5-16(11-23-15)10-17-12-24-21(25-20(17)27)22-8-9-29-14-19-7-6-18(28-19)13-26(2)3;;;/h4-7,11-12H,8-10,13-14H2,1-3H3,(H2,22,24,25,27);3*1H
InChIKeyYMVSCUJJVSENIP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lupitidine hydrochloride (CHEBI:756295) is a chloropyridine (CHEBI:39173)
Synonyms  Source
Lupitidine hydrochlorideChEMBL
SK&F 93479ChEMBL
SK&F-93479ChEMBL