CHEBI:177409 - Zicronapine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Zicronapine
ChEBI ID CHEBI:177409
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H27ClN2
Net Charge 0
Average Mass 354.920
Monoisotopic Mass 354.18628
InChI InChI=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
InChIKey BYPMJBXPNZMNQD-PZJWPPBQSA-N
SMILES ClC1=CC=2[C@H](N3CC(N(CC3)C)(C)C)C[C@H](C2C=C1)C4=CC=CC=C4
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
9640456 ChemSpider
D10329 KEGG DRUG
DB12188 KEGG DRUG
View more database links
Registry Number Type Source
170381-16-5 CAS Registry Number ChemIDplus