(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

Properties Image MNX_ID MNXM171263 reference chebi:111731 formula C25H33Cl2N3O3 global charge 0 mol weight 494.463 InChIKey VYDAAMPIABWJJO-SEPYTNNBSA-N InChI InChI=1S/C25H33Cl2N3O3/c1-16-12-30(17(2)15-31)25(32)19-7-6-8-22(28(3)4)24(19)33-23(16)14-29(5)13-18-9-10-20(26)21(27)11-18/h6-11,16-17,23,31H,12-15H2,1-5H3/t16-,17-,23-/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(O[C@@H]1CN(C)CC1=CC(Cl)=C(Cl)C=C1)C(N(C)C)=CC=C2 MNX internals InChI (mnx) InChI=1/C25H33Cl2N3O3/c1-16-12-30(17(2)15-31)25(32)19-7-6-8-22(28(3)4)24(19)33-23(16)14-29(5)13-18-9-10-20(26)21(27)11-18/h6-11,16-17,23,31H,12-15H2,1-5H3/t16-,17-,23-/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:12][N:30]([C@H:17]([CH3:2])[CH2:15][OH:31])[C:25](=[O:32])[C:19]2=[C:24]([C:22]([N:28]([CH3:3])[CH3:4])=[CH:8][CH:6]=[CH:7]2)[O:33][C@@H:23]1[CH2:14][N:29]([CH3:5])[CH2:13][C:18]1=[CH:11][C:21]([Cl:27])=[C:20]([Cl:26])[CH:10]=[CH:9]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0