brequinar sodium

Properties Image MNX_ID MNXM44684 reference chebi:177871 formula C23H14F2NNaO2 global charge 0 mol weight 397.356 InChIKey PZOHOALJQOFNTB-UHFFFAOYSA-M InChI InChI=1S/C23H15F2NO2.Na/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;/h2-12H,1H3,(H,27,28);/q;+1/p-1 SMILES CC1=C(C(=O)[O-])C2=CC(F)=CC=C2N=C1C1=CC=C(C2=C(F)C=CC=C2)C=C1.[Na+] MNX internals InChI (mnx) InChI=1/C23H15F2NO2.Na/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;/h2-12H,1H3,(H,27,28);/q;+1 SMILES (mnx) [CH3:1][C:13]1=[C:21]([C:23](=[O:27])[OH:28])[C:18]2=[C:20]([CH:11]=[CH:10][C:16]([F:24])=[CH:12]2)[N:26]=[C:22]1[C:15]1=[CH:9][CH:7]=[C:14]([C:17]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:19]2[F:25])[CH:6]=[CH:8]1.[Na+:29]

Parent-child relations graph

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