S(-)-Secobarbital
[CAS# 20224-45-7]

Identification

• Name: S(-)-Secobarbital
• Synonyms: 5-Allyl-5-[(1S)-1-Methylbutyl]Hexahydropyrimidine-2,4,6-Trione; 5-Allyl-5-[(1S)-1-Methylbutyl]Barbituric Acid; Barbituric Acid, 5-Allyl-5-(1-Methylbutyl)-, (S)-(-)-
• Molecular Formula: C₁₂H₁₈N₂O₃
• Molecular Weight: 238.29
• CAS Registry Number: 20224-45-7
• SMILES: [C@H](C1(C(NC(=O)NC1=O)=O)CC=C)(C)CCC
• InChI: 1S/C12H18N2O3/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)/t8-/m0/s1
• InChIKey: KQPKPCNLIDLUMF-QMMMGPOBSA-N

Properties

• Density: 1.079g/cm³ (Cal.)