(S)-dobutamine

Properties Image MNX_ID MNXM31819 reference chebi:59805 formula C18H23NO3 global charge 0 mol weight 301.386 InChIKey JRWZLRBJNMZMFE-ZDUSSCGKSA-N InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m0/s1 SMILES C[C@@H](CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m0/s1 SMILES (mnx) [CH3:1][C@@H:13]([CH2:2][CH2:3][C:14]1=[CH:5][CH:8]=[C:16]([OH:20])[CH:7]=[CH:4]1)[NH:19][CH2:11][CH2:10][C:15]1=[CH:12][C:18]([OH:22])=[C:17]([OH:21])[CH:9]=[CH:6]1

Parent-child relations graph

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