CHEBI:131324 - (3R,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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ChEBI Name (3R,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 ID CHEBI:131324 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H45Cl2N3O4 Net Charge 0 Average Mass 594.614 Monoisotopic Mass 593.27871 InChI InChI=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 InChIKey HDXBPNDJZFTSGZ-CXDLDTBJSA-N SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC(=C(C=C3)Cl)Cl ChEBI Ontology Outgoing (3R,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:131324) is a azamacrocycle (CHEBI:52898) (3R,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:131324) is a lactam (CHEBI:24995) Manual Xref Database LSM-41730 LINCS View more database links