(3R,9S,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-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

Properties Image MNX_ID MNXM172163 reference chebi:104772 formula C25H43N3O4 global charge 0 mol weight 449.636 InChIKey PQNWFIFCFFWMJI-ZBNTXBBCSA-N InChI InChI=1S/C25H43N3O4/c1-18-15-28(19(2)17-29)25(30)22-14-21(27(6)7)11-12-23(22)32-20(3)10-8-9-13-31-24(18)16-26(4)5/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20-,24-/m1/s1 SMILES C[C@@H]1CCCCO[C@H](CN(C)C)[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/C25H43N3O4/c1-18-15-28(19(2)17-29)25(30)22-14-21(27(6)7)11-12-23(22)32-20(3)10-8-9-13-31-24(18)16-26(4)5/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20-,24-/m1/s1 SMILES (mnx) [CH3:1][C@@H:18]1[CH2:15][N:28]([C@@H:19]([CH3:2])[CH2:17][OH:29])[C:25](=[O:30])[C:22]2=[CH:14][C:21]([N:27]([CH3:6])[CH3:7])=[CH:11][CH:12]=[C:23]2[O:32][C@H:20]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:13][O:31][C@@H:24]1[CH2:16][N:26]([CH3:4])[CH3:5]

Parent-child relations graph

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