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CHEBI:126998 - [(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

ChEBI IDCHEBI:126998
ChEBI Name[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
Stars
DownloadsMolfile
FormulaC26H33N3O3S
Net Charge0
Average Mass467.635
Monoisotopic Mass467.22426
SMILESCN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1
InChIInChI=1S/C26H33N3O3S/c1-27(2)16-8-9-21-12-14-22(15-13-21)26-24-19-28(17-6-7-18-29(24)25(26)20-30)33(31,32)23-10-4-3-5-11-23/h3-5,10-15,24-26,30H,6-7,16-20H2,1-2H3/t24-,25-,26-/m0/s1
InChIKeyMWBXVRZKAQUJRG-GSDHBNRESA-N
ChEBI Ontology
Outgoing Relation(s)
[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:126998) is a azetidines (CHEBI:38777)
[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:126998) is a benzenes (CHEBI:22712)
[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:126998) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
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