Secobarbital sodium (JAN/USP)

Properties Image MNX_ID MNXM161017 reference keggD:D01310 formula C12H17N2NaO3 global charge 0 mol weight 260.269 InChIKey AXXJTNXVUHVOJW-UHFFFAOYSA-M InChI InChI=1S/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1 SMILES C=CCC1(C(C)CCC)C(=O)[N-]C(=O)NC1=O.[Na+] MNX internals InChI (mnx) InChI=1/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/t8?; SMILES (mnx) [CH3:1][CH2:4][CH2:6][CH:8]([CH3:3])[C:12]1([CH2:7][CH:5]=[CH2:2])[C:9]([OH:15])=[N:13][C:11](=[O:17])[N:14]=[C:10]1[OH:16].[Na+:18]

Parent-child relations graph

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