(S)-warfarin sodium

Properties Image MNX_ID MNXM149838 reference chebi:87740 formula C19H15NaO4 global charge 0 mol weight 330.315 InChIKey KYITYFHKDODNCQ-RSAXXLAASA-M InChI InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1/t15-;/m0./s1 SMILES CC(=O)C[C@@H](C1=CC=CC=C1)C1=C([O-])C2=C(C=CC=C2)OC1=O.[Na+] MNX internals InChI (mnx) InChI=1/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/t15-;/m0./s1 SMILES (mnx) [CH3:1][C:12]([CH2:11][C@@H:15]([C:13]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[C:17]1=[C:18]([OH:21])[C:14]2=[CH:9][CH:5]=[CH:6][CH:10]=[C:16]2[O:23][C:19]1=[O:22])=[O:20].[Na+:24]

Parent-child relations graph

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