Heptabarb
[CAS# 509-86-4]

Identification

• Name: Heptabarb
• Synonyms: Sodium 5-(1-Cycloheptenyl)-5-Ethyl-4,6-Dioxo-1H-Pyrimidin-2-Olate; Sodium 5-(1-Cycloheptenyl)-5-Ethyl-Hexahydropyrimidin-3-Ide-2,4,6-Trione; Sodium 5-(1-Cycloheptenyl)-5-Ethylhexahydropyrimidin-3-Ide-2,4,6-Trione
• Molecular Formula: C₁₃H₁₇N₂NaO₃
• Molecular Weight: 272.28
• CAS Registry Number: 509-86-4
• EINECS: 208-107-6
• SMILES: [N-]1C(=O)C(C(=O)NC1=O)(C2=CCCCCC2)CC.[Na+]
• InChI: 1S/C13H18N2O3.Na/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17;/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18);/q;+1/p-1
• InChIKey: WTFUIOZBBSAYJP-UHFFFAOYSA-M