Acrinol hydrate (JP18)

Properties Image MNX_ID MNXM151796 reference keggD:D01248 formula C18H23N3O5 global charge 0 mol weight 361.398 InChIKey NYEPHMYJRNWPLA-UHFFFAOYSA-N InChI InChI=1S/C15H15N3O.C3H6O3.H2O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6;/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);1H2 SMILES CC(O)C(=O)O.CCOC1=CC2=C(C=C1)N=C1C=C(N)C=CC1=C2N.O MNX internals InChI (mnx) InChI=1/C15H15N3O.C3H6O3.H2O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6;/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);1H2/t;2?; SMILES (mnx) [CH3:1][CH2:2][O:19][C:10]1=[CH:4][CH:6]=[C:13]2[C:12](=[CH:8]1)[C:15](=[NH:17])[C:11]1=[C:14]([CH:7]=[C:9]([NH2:16])[CH:3]=[CH:5]1)[NH:18]2.[CH3:20][CH:21]([C:22](=[O:24])[OH:25])[OH:23].[OH2:26]

Parent-child relations graph

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