CHEBI:231359 - RS 17053 hydrochloride

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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 RS 17053 hydrochloride
ChEBI ID CHEBI:231359
Stars This entity has been manually annotated by a third party.
Submitter Delphine Zhou
Supplier Information
Download Molfile XML SDF
Formula C24H29ClN2O2.ClH
Net Charge 0
Average Mass 449.420
Monoisotopic Mass 448.16843
InChI InChI=1S/C24H29ClN2O2.ClH/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17;/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3;1H
InChIKey QFOPFGRPNPCPBX-UHFFFAOYSA-N
SMILES CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4.Cl
ChEBI Ontology
Outgoing RS 17053 hydrochloride (CHEBI:231359) is a organic molecular entity (CHEBI:50860)
Synonym Source
RS 17053 SUBMITTER
Registry Number Type Source
169505-93-5 CAS Registry Number SUBMITTER