(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

Properties Image MNX_ID MNXM171494 reference chebi:111656 formula C25H33Cl2N3O3 global charge 0 mol weight 494.463 InChIKey QSGCCBXTIZPHMD-WOGXIUBCSA-N InChI InChI=1S/C25H33Cl2N3O3/c1-16-12-30(17(2)15-31)25(32)20-11-19(28(3)4)7-9-23(20)33-24(16)14-29(5)13-18-6-8-21(26)22(27)10-18/h6-11,16-17,24,31H,12-15H2,1-5H3/t16-,17-,24+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O[C@@H]1CN(C)CC1=CC(Cl)=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C25H33Cl2N3O3/c1-16-12-30(17(2)15-31)25(32)20-11-19(28(3)4)7-9-23(20)33-24(16)14-29(5)13-18-6-8-21(26)22(27)10-18/h6-11,16-17,24,31H,12-15H2,1-5H3/t16-,17-,24+/m0/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:20]2=[C:23]([CH:9]=[CH:7][C:19]([N:28]([CH3:3])[CH3:4])=[CH:11]2)[O:33][C@@H:24]1[CH2:14][N:29]([CH3:5])[CH2:13][C:18]1=[CH:10][C:22]([Cl:27])=[C:21]([Cl:26])[CH:8]=[CH:6]1

Parent-child relations graph

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