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CHEBI:127222 - (1R,5S)-6-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:127222
ChEBI Name(1R,5S)-6-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
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FormulaC27H30N2O2
Net Charge0
Average Mass414.549
Monoisotopic Mass414.23073
SMILESCOc1cc(CN2[C@@H]3CNC[C@H]2C3c2ccc(-c3ccc(C)cc3)cc2)cc(OC)c1
InChIInChI=1S/C27H30N2O2/c1-18-4-6-20(7-5-18)21-8-10-22(11-9-21)27-25-15-28-16-26(27)29(25)17-19-12-23(30-2)14-24(13-19)31-3/h4-14,25-28H,15-17H2,1-3H3/t25-,26+,27?
InChIKeyRECJSIILAGWOGU-ZVBBVAIHSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5S)-6-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:127222) is a piperidines (CHEBI:26151)
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