CHEBI:230916 - Trapencaine

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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 Trapencaine
ChEBI ID CHEBI:230916
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34N2O3
Net Charge 0
Average Mass 374.525
Monoisotopic Mass 374.25694
InChI InChI=1S/C22H34N2O3/c1-2-3-8-16-26-19-11-9-10-18(17-19)23-22(25)27-21-13-5-4-12-20(21)24-14-6-7-15-24/h9-11,17,20-21H,2-8,12-16H2,1H3,(H,23,25)/t20-,21-/m1/s1
InChIKey HVYGHQWGUABUST-NHCUHLMSSA-N
SMILES O([C@H]1[C@H](N2CCCC2)CCCC1)C(=O)NC3=CC(OCCCCC)=CC=C3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Trapencaine (CHEBI:230916) is a aromatic ether (CHEBI:35618)
IUPAC Name
[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate
Manual Xref Database
97228 ChemSpider
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