1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (2,5-dioxoimidazolidin-4-yl)urea citrate CAS Name: (2,5-dioxo-4-imidazolidinyl)urea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: (2,5-dioxoimidazolidin-4-yl)urea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: allantoin citrate Formula: C10H11N4O10-3 MolecularWeight: 347.21514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C1(C(=O)NC(=O)N1)NC(=O)N

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C1(C(=O)NC(=O)N1)NC(=O)N

InChI

InChI=1S/C6H8O7.C4H6N4O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(10)6-1-2(9)8-4(11)7-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H,(H3,5,6,10)(H2,7,8,9,11)/p-3