Narcobarbital
[CAS# 125-55-3]

Identification

• Name: Narcobarbital
• Synonyms: Sodium 5-(2-Bromoprop-2-Enyl)-5-Isopropyl-1-Methyl-4,6-Dioxo-Pyrimidin-2-Olate; Sodium 5-(2-Bromoprop-2-Enyl)-5-Isopropyl-1-Methyl-4,6-Dioxo-2-Pyrimidinolate; Sodium 5-(2-Bromoprop-2-Enyl)-5-Isopropyl-4,6-Diketo-1-Methyl-Pyrimidin-2-Olate
• Molecular Formula: C₁₁H₁₄BrN₂NaO₃
• Molecular Weight: 325.14
• CAS Registry Number: 125-55-3 (3329-16-6)
• SMILES: C(C1(C(=O)N(C(=O)[N-]C1=O)C)C(C)C)C(Br)=C.[Na+]
• InChI: 1S/C11H15BrN2O3.Na/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16;/h6H,3,5H2,1-2,4H3,(H,13,15,17);/q;+1/p-1
• InChIKey: OJFQAJVRMVQQHN-UHFFFAOYSA-M

Properties

• Boiling point: 379.6°C at 760 mmHg (Cal.)
• Flash point: 183.4°C (Cal.)