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CHEBI:126421 - (2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol

ChEBI IDCHEBI:126421
ChEBI Name(2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
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DownloadsMolfile
FormulaC25H36N2O3
Net Charge0
Average Mass412.574
Monoisotopic Mass412.27259
SMILESC[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1
InChIInChI=1S/C25H36N2O3/c1-19(29)4-5-20-6-8-22(9-7-20)25-23-17-26(16-21-10-14-30-15-11-21)12-2-3-13-27(23)24(25)18-28/h6-9,19,21,23-25,28-29H,2-3,10-18H2,1H3/t19-,23-,24+,25+/m1/s1
InChIKeyBFTPGHPTOTYTCQ-HVVFZDMJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol (CHEBI:126421) is a azetidines (CHEBI:38777)
(2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol (CHEBI:126421) is a benzenes (CHEBI:22712)
(2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol (CHEBI:126421) is a ring assembly (CHEBI:36820)
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