(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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

Properties Image MNX_ID MNXM172181 reference chebi:128052 formula C31H45Cl2N3O4 global charge 0 mol weight 594.624 InChIKey HDXBPNDJZFTSGZ-JONNCTARSA-N 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 SMILES C[C@@H]1CCCCO[C@H](CN(C)CC2=CC(Cl)=C(Cl)C=C2)[C@@H](C)CN([C@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O1 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH3:1][C@H:21]1[CH2:17][N:36]([C@H:22]([CH3:2])[CH2:20][OH:37])[C:31](=[O:38])[C:26]2=[CH:16][C:25]([N:34]([CH3:4])[CH3:5])=[CH:11][CH:13]=[C:29]2[O:40][C@H:23]([CH3:3])[CH2:9][CH2:7][CH2:8][CH2:14][O:39][C@@H:30]1[CH2:19][N:35]([CH3:6])[CH2:18][C:24]1=[CH:15][C:28]([Cl:33])=[C:27]([Cl:32])[CH:12]=[CH:10]1

Parent-child relations graph

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