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CHEBI:98857 - (2S,3S,3aR,9bR)-7-[3-[dimethylamino(oxo)methyl]phenyl]-1-ethyl-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:98857
ChEBI Name(2S,3S,3aR,9bR)-7-[3-[dimethylamino(oxo)methyl]phenyl]-1-ethyl-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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DownloadsMolfile
FormulaC25H32N4O4
Net Charge0
Average Mass452.555
Monoisotopic Mass452.24236
SMILESCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(C(=O)N(C)C)c4)c3=O)[C@@H]21
InChIInChI=1S/C25H32N4O4/c1-6-28-21-18(19(14-30)22(28)25(33)27(4)5)13-29-20(21)11-10-17(24(29)32)15-8-7-9-16(12-15)23(31)26(2)3/h7-12,18-19,21-22,30H,6,13-14H2,1-5H3/t18-,19-,21+,22-/m0/s1
InChIKeyQNTNHIANOHBUGN-MPJJRAAHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-7-[3-[dimethylamino(oxo)methyl]phenyl]-1-ethyl-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:98857) is a phenylpyridine (CHEBI:38193)
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