Phenobarbital diethylamine

Properties Image MNX_ID MNXM159619 reference keggD:D08356 formula C16H23N3O3 global charge 0 mol weight 305.378 InChIKey HRIVMPCILUGJNH-UHFFFAOYSA-N InChI InChI=1S/C12H12N2O3.C4H11N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-3-5-4-2/h3-7H,2H2,1H3,(H2,13,14,15,16,17);5H,3-4H2,1-2H3 SMILES CCC1(C2=CC=CC=C2)C(=O)NC(=O)NC1=O.CCNCC MNX internals InChI (mnx) InChI=1/C12H12N2O3.C4H11N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-3-5-4-2/h3-7H,2H2,1H3,(H2,13,14,15,16,17);5H,3-4H2,1-2H3 SMILES (mnx) [CH3:18][CH2:20][NH:22][CH2:21][CH3:19].[CH3:1][CH2:2][C:12]1([C:8]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[C:9]([OH:15])=[N:13][C:11](=[O:17])[N:14]=[C:10]1[OH:16]

Parent-child relations graph

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