Tedral
[CAS# 8057-98-5]

Identification

• Name: Tedral
• Synonyms: 1,3-Dimethyl-7H-Purine-2,6-Dione; 5-Ethyl-5-Phenyl-Hexahydropyrimidine-2,4,6-Trione; (1R,2S)-2-Methylamino-1-Phenyl-Propan-1-Ol; Hydrochloride; 1,3-Dimethyl-7H-Purine-2,6-Dione; 5-Ethyl-5-Phenylhexahydropyrimidine-2,4,6-Trione
• Molecular Formula: C₂₉H₃₆ClN₇O₆
• Molecular Weight: 614.10
• CAS Registry Number: 8057-98-5
• SMILES: N2(C1=C([NH]C=N1)C(=O)N(C2=O)C)C.[C@@H](NC)([C@H](O)C3=CC=CC=C3)C.[H+].C5=C(C4(CC)C(=O)NC(=O)NC4=O)C=CC=C5.[Cl-]
• InChI: 1S/C12H12N2O3.C10H15NO.C7H8N4O2.ClH/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-8(11-2)10(12)9-6-4-3-5-7-9;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);3-8,10-12H,1-2H3;3H,1-2H3,(H,8,9);1H/t;8-,10-;;/m.0../s1
• InChIKey: NKJQUBGQMMGWMJ-JBURPYQASA-N