Amprotropine

Properties Image MNX_ID MNXM41988 reference chebi:2685 formula C18H29NO3 global charge 0 mol weight 307.434 InChIKey ORXLOAFNULMXBG-UHFFFAOYSA-N InChI InChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3 SMILES CCN(CC)CC(C)(C)COC(=O)C(CO)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3/t16? SMILES (mnx) [CH3:1][CH2:5][N:19]([CH2:6][CH3:2])[CH2:13][C:18]([CH3:3])([CH3:4])[CH2:14][O:22][C:17]([CH:16]([CH2:12][OH:20])[C:15]1=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]1)=[O:21]

Parent-child relations graph

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