CHEBI:135739 - xenytropium

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ChEBI Name xenytropium
ChEBI ID CHEBI:135739
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H34NO3
Net Charge +1
Average Mass 456.597
Monoisotopic Mass 456.25332
InChI InChI=1S/C30H34NO3/c1-31(20-22-12-14-24(15-13-22)23-8-4-2-5-9-23)26-16-17-27(31)19-28(18-26)34-30(33)29(21-32)25-10-6-3-7-11-25/h2-15,26-29,32H,16-21H2,1H3/q+1/t26-,27+,28+,29?,31?
InChIKey QDCILXFPWMMNQY-DNYGJFJUSA-N
SMILES C([N+]1(C)[C@H]2C[C@@H](C[C@@H]1CC2)OC(C(CO)C3=CC=CC=C3)=O)C4=CC=C(C=C4)C5=CC=CC=C5
ChEBI Ontology
Outgoing xenytropium (CHEBI:135739) is a piperidines (CHEBI:26151)
Synonym Source
xenytropium bromide DrugCentral
Manual Xref Database
2850 DrugCentral
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Registry Number Type Source
38971-12-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017