Phenobarbital Quinidine
[CAS# 1400-48-2]

Identification

• Name: Phenobarbital Quinidine
• Synonyms: 5-Ethyl-5-Phenyl-Hexahydropyrimidine-2,4,6-Trione; (S)-(6-Methoxy-4-Quinolyl)-[(2R,5R)-5-Vinylquinuclidin-2-Yl]Methanol; 5-Ethyl-5-Phenylhexahydropyrimidine-2,4,6-Trione; (S)-(6-Methoxy-4-Quinolyl)-[(2R,5R)-5-Vinyl-2-Quinuclidinyl]Methanol; 5-Ethyl-5-Phenyl-Barbituric Acid; (S)-(6-Methoxy-4-Quinolyl)-[(2R,5R)-5-Vinylquinuclidin-2-Yl]Methanol
• Molecular Formula: C₃₂H₃₆N₄O₅
• Molecular Weight: 556.66
• CAS Registry Number: 1400-48-2
• SMILES: [C@H]1(N2C[C@@H](C(C1)CC2)C=C)[C@@H](O)C3=C4C(=NC=C3)C=CC(=C4)OC.C6=C(C5(C(=O)NC(=O)NC5=O)CC)C=CC=C6
• InChI: 1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t13-,14?,19+,20-;/m0./s1
• InChIKey: YHRUERMOPBDCFD-KYNMMFKBSA-N

Properties

• Boiling point: 495.9°C at 760 mmHg (Cal.)
• Flash point: 253.7°C (Cal.)