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CHEBI:756259 - espatropate

Default Structure
ChEBI IDCHEBI:756259
ChEBI Nameespatropate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC19H23N3O3
Net Charge0
Average Mass341.411
Monoisotopic Mass341.17394
SMILESO=C(O[C@H]1CN2CCC1CC2)[C@@](CO)(c1ccccc1)n1ccnc1
InChIInChI=1S/C19H23N3O3/c23-13-19(22-11-8-20-14-22,16-4-2-1-3-5-16)18(24)25-17-12-21-9-6-15(17)7-10-21/h1-5,8,11,14-15,17,23H,6-7,9-10,12-13H2/t17-,19+/m0/s1
InChIKeyMDJOZYCYNUJABP-PKOBYXMFSA-N
ChEBI Ontology
Outgoing Relation(s)
espatropate (CHEBI:756259) has functional parent α-amino acid (CHEBI:33704)
espatropate (CHEBI:756259) is a organonitrogen compound (CHEBI:35352)
espatropate (CHEBI:756259) is a organooxygen compound (CHEBI:36963)
INNs  Source
espatropateWHO MedNet
espatropatoWHO MedNet
Synonym  Source
UK-88060ChEMBL