Aprobarbital Methanol Solution
[CAS# 77-02-1]

Identification

• Name: Aprobarbital Methanol Solution
• Synonyms: 5-Allyl-5-Isopropyl-Hexahydropyrimidine-2,4,6-Trione; 5-Allyl-5-Isopropylhexahydropyrimidine-2,4,6-Trione; 5-Allyl-5-Isopropyl-Barbituric Acid
• Molecular Formula: C₁₀H₁₄N₂O₃
• Molecular Weight: 210.23
• CAS Registry Number: 77-02-1
• EINECS: 200-997-4
• SMILES: C(C1(C(NC(=O)NC1=O)=O)C(C)C)C=C
• InChI: 1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
• InChIKey: UORJNBVJVRLXMQ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 2100

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493