Efaproxiral sodium (USAN)

Properties Image MNX_ID MNXM155657 reference keggD:D03962 formula C20H22NNaO4 global charge 0 mol weight 363.389 InChIKey SWDPIHPGORBMFR-UHFFFAOYSA-M InChI InChI=1S/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);/q;+1/p-1 SMILES CC1=CC(C)=CC(NC(=O)CC2=CC=C(OC(C)(C)C(=O)[O-])C=C2)=C1.[Na+] MNX internals InChI (mnx) InChI=1/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);/q;+1 SMILES (mnx) [CH3:1][C:13]1=[CH:9][C:14]([CH3:2])=[CH:11][C:16]([N:21]=[C:18]([CH2:12][C:15]2=[CH:6][CH:8]=[C:17]([O:25][C:20]([CH3:3])([CH3:4])[C:19](=[O:23])[OH:24])[CH:7]=[CH:5]2)[OH:22])=[CH:10]1.[Na+:26]

Parent-child relations graph

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