3a,6a-Diphenylperhydroimidazo[4,5-d]imidazole-2,5-dione
3a,6a-Diphenylperhydroimidazo[4,5-d]imidazole-2,5-dione Structure
Systematic / IUPAC Name: 3a,6a-Diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
ID: Reference8562
Other Names:
Phenytoin impurity D;
3a,6a-Diphenyl-1,3,4,6,3a,6a-hexahydro-1,3,4,6-tetraazapentalene-2,5-dione;
3a,6a-Diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-diol;
3a,6a-Diphenylglycoluril;
3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
; more
Formula: C16H14N4O2
Spectral Data
3a,6a-Diphenylperhydroimidazo[4,5-d]imidazole-2,5-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 178 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/27/2019 1:23:25 PM |
Identificators
| InChI | InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22) |
| InChI Key | WUDVGTHXCLJVJN-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)C23C(NC(=O)N2)(NC(=O)N3)C4=CC=CC=C4 |
| CAS | 5157153 |
| Splash | |
| Other Names |
Phenytoin impurity D; 3a,6a-Diphenyl-1,3,4,6,3a,6a-hexahydro-1,3,4,6-tetraazapentalene-2,5-dione; 3a,6a-Diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-diol; 3a,6a-Diphenylglycoluril; 3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione; 3a,6a-Diphenyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione; 7,8-Diphenylglycoluril; Diphenylglycoluril; Diphenylglycoluril, cis-; Glycoluril, 3a,6a-diphenyl-; Glycoluril, 7,8-diphenyl-; Imidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-3a,6a-diphenyl-(9CI) |
In Other Databases
| PubChem | 21237 |
| ChemSpider | 19965 |
| ChEMBL | CHEMBL1904613 |
| ChemIDPlus | 005157153; 5157153 |
| WebBook | 3935113138 |