1-Hydroxycarvedilol

Properties Image MNX_ID MNXM115950 reference chebi:175370 formula C24H26N2O5 global charge 0 mol weight 422.481 InChIKey UQJJKVKQRTUYJW-UHFFFAOYSA-N InChI InChI=1S/C24H26N2O5/c1-29-20-8-4-5-9-21(20)30-13-12-25-14-16(27)15-31-22-11-10-19(28)24-23(22)17-6-2-3-7-18(17)26-24/h2-11,16,25-28H,12-15H2,1H3 SMILES COC1=C(OCCNCC(O)COC2=CC=C(O)C3=C2C2=C(C=CC=C2)N3)C=CC=C1 MNX internals InChI (mnx) InChI=1/C24H26N2O5/c1-29-20-8-4-5-9-21(20)30-13-12-25-14-16(27)15-31-22-11-10-19(28)24-23(22)17-6-2-3-7-18(17)26-24/h2-11,16,25-28H,12-15H2,1H3/t16? SMILES (mnx) [CH3:1][O:29][C:20]1=[CH:8][CH:4]=[CH:5][CH:9]=[C:21]1[O:30][CH2:13][CH2:12][NH:25][CH2:14][CH:16]([CH2:15][O:31][C:22]1=[C:23]2[C:17]3=[CH:6][CH:2]=[CH:3][CH:7]=[C:18]3[NH:26][C:24]2=[C:19]([OH:28])[CH:10]=[CH:11]1)[OH:27]

Parent-child relations graph

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