CHEBI:135513 - setastine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name setastine
ChEBI ID CHEBI:135513
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H28ClNO
Net Charge 0
Average Mass 357.918
Monoisotopic Mass 357.18594
InChI InChI=1S/C22H28ClNO/c1-22(19-9-5-4-6-10-19,20-11-13-21(23)14-12-20)25-18-17-24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3
InChIKey VBSPHZOBAOWFCL-UHFFFAOYSA-N
SMILES C(OCCN1CCCCCC1)(C)(C2=CC=C(C=C2)Cl)C3=CC=CC=C3
ChEBI Ontology
Outgoing setastine (CHEBI:135513) is a diarylmethane (CHEBI:51614)
Synonyms Sources
EGYT-2062 DrugCentral
setastinum DrugCentral
Manual Xref Database
2437 DrugCentral
View more database links
Registry Number Type Source
64294-95-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017