Secobarbital
[CAS# 76-73-3]

Identification

• Classification: API >> Nervous system medication >> Other nervous system medication
• Name: Secobarbital
• Synonyms: 5-Allyl-5-(1-Methylbutyl)Hexahydropyrimidine-2,4,6-Trione; 5-Allyl-5-(1-Methylbutyl)Barbituric Acid; S1503_Sigma
• Molecular Formula: C₁₂H₁₈N₂O₃
• Molecular Weight: 238.29
• CAS Registry Number: 76-73-3 (29071-21-4)
• EINECS: 200-982-2
• SMILES: C(C1(C(NC(=O)NC1=O)=O)C(CCC)C)C=C
• 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)
• InChIKey: KQPKPCNLIDLUMF-UHFFFAOYSA-N

Properties

• Density: 1.079g/cm³ (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 2315

References

• (1): Meng-Jie Sie, Bud-Gen Chen, Chiung Dan Chang, Chia-Han Lin and Ray H. Liu. Detector response and intensity cross-contribution as contributing factors to the observed non-linear calibration curves in mass spectrometric analysis, Analyst, 2011, 136, 393.