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CHEBI:98509 - (2S,3S,3aR,9bR)-1-ethyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-2-(piperidine-1-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:98509
ChEBI Name(2S,3S,3aR,9bR)-1-ethyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-2-(piperidine-1-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
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DownloadsMolfile
FormulaC25H30FN3O3
Net Charge0
Average Mass439.531
Monoisotopic Mass439.22712
SMILESCCN1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21
InChIInChI=1S/C25H30FN3O3/c1-2-28-22-19(20(15-30)23(28)25(32)27-11-4-3-5-12-27)14-29-21(22)10-9-18(24(29)31)16-7-6-8-17(26)13-16/h6-10,13,19-20,22-23,30H,2-5,11-12,14-15H2,1H3/t19-,20-,22+,23-/m0/s1
InChIKeyIVBSCMTWKAMHGA-RLBLXZPPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-ethyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-2-(piperidine-1-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one (CHEBI:98509) is a phenylpyridine (CHEBI:38193)
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