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CHEBI:750634 - citatepine

Default Structure
ChEBI IDCHEBI:750634
ChEBI Namecitatepine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC20H18N2S
Net Charge0
Average Mass318.445
Monoisotopic Mass318.11907
SMILESCN1CCC2=C(CC1)c1cc(C#N)ccc1Sc1ccccc12
InChIInChI=1S/C20H18N2S/c1-22-10-8-15-16(9-11-22)18-12-14(13-21)6-7-20(18)23-19-5-3-2-4-17(15)19/h2-7,12H,8-11H2,1H3
InChIKeyAGBTZJDOBMDLPR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
citatepine (CHEBI:750634) is a dibenzothiepine (CHEBI:38924)
INNs  Source
citatepinaWHO MedNet
citatepineWHO MedNet