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CHEBI:95429 - (3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

ChEBI IDCHEBI:95429
ChEBI Name(3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
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DownloadsMolfile
FormulaC32H47N3O6
Net Charge0
Average Mass569.743
Monoisotopic Mass569.34649
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C32H47N3O6/c1-22-17-35(23(2)20-36)32(37)27-16-26(33(4)5)11-13-28(27)41-24(3)9-7-8-14-38-31(22)19-34(6)18-25-10-12-29-30(15-25)40-21-39-29/h10-13,15-16,22-24,31,36H,7-9,14,17-21H2,1-6H3/t22-,23-,24+,31-/m1/s1
InChIKeyWIYHORLWMFSPCL-FILQNJKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:95429) is a azamacrocycle (CHEBI:52898)
(3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:95429) is a lactam (CHEBI:24995)
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