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CHEBI:177409 - Zicronapine

ChEBI IDCHEBI:177409
ChEBI NameZicronapine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27ClN2
Net Charge0
Average Mass354.925
Monoisotopic Mass354.18628
SMILESCN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C
InChIInChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1
InChIKeyBYPMJBXPNZMNQD-PZJWPPBQSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Zicronapine (CHEBI:177409) is a indanes (CHEBI:46940)
IUPAC Name 
4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
Manual XrefsDatabases
9640456ChemSpider
DB12188DrugBank
D10329KEGG DRUG
Registry NumbersSources
CAS:170381-16-5ChemIDplus