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CHEBI:130425 - (3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2S)-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:130425
ChEBI Name(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2S)-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
FormulaC31H45Cl2N3O4
Net Charge0
Average Mass594.624
Monoisotopic Mass593.27871
SMILESC[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C31H45Cl2N3O4/c1-21-17-36(22(2)20-37)31(38)26-16-25(34(4)5)11-13-29(26)40-23(3)9-7-8-14-39-30(21)19-35(6)18-24-10-12-27(32)28(33)15-24/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3/t21-,22-,23-,30+/m0/s1
InChIKeyHDXBPNDJZFTSGZ-GDCCIXDYSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:130425) is a azamacrocycle (CHEBI:52898)
(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:130425) is a lactam (CHEBI:24995)
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