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CHEBI:130105 - [(8R,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

ChEBI IDCHEBI:130105
ChEBI Name[(8R,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
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DownloadsMolfile
FormulaC25H30N2O2
Net Charge0
Average Mass390.527
Monoisotopic Mass390.23073
SMILESCOc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4CCCCN(C)C[C@@H]34)cc2)cc1
InChIInChI=1S/C25H30N2O2/c1-26-15-3-4-16-27-23(17-26)25(24(27)18-28)21-11-7-19(8-12-21)5-6-20-9-13-22(29-2)14-10-20/h7-14,23-25,28H,3-4,15-18H2,1-2H3/t23-,24+,25+/m0/s1
InChIKeyWJPROCFBRYRJTF-ISJGIBHGSA-N
ChEBI Ontology
Outgoing Relation(s)
[(8R,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130105) is a azetidines (CHEBI:38777)
[(8R,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130105) is a benzenes (CHEBI:22712)
[(8R,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130105) is a ring assembly (CHEBI:36820)
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