1,2-Cyclohexanedicarboxylic Acid Mono 4-Methyl-7-carboxy-heptyl Ester-d8

CAS: 1637562-51-6

Ref. TR-C987317

Información del producto

• Nombre: 1,2-Cyclohexanedicarboxylic Acid Mono 4-Methyl-7-carboxy-heptyl Ester-d8
• Sinónimos: 2-(((7-Carboxy-4-methylheptyl)oxy)carbonyl)cyclohexanecarboxylic Acid-d8
• Marca: TRC
• Descripción: Stability HygroscopicApplications 1,2-Cyclohexanedicarboxylic Acid Mono 4-Methyl-7-carboxy-heptyl Ester-d8 is labelled 1,2-Cyclohexanedicarboxylic Acid Mono 4-Methyl-7-carboxy-heptyl Ester (C987315) which is a possible metabolite of the di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH) monoester (MINCH).References Koch, H., et al.: Arch. Toxicol., 87, 799 (2013)

Propiedades químicas

• Peso molecular: 336.45
• Fórmula: C₁₇H₂₀D₈O₆
• Color/Forma: Neat
• InChI: InChI=1S/C17H28O6/c1-12(6-4-10-15(18)19)7-5-11-23-17(22)14-9-3-2-8-13(14)16(20)21/h12-14H,2-11H2,1H3,(H,18,19)(H,20,21)/i2D2,3D2,8D2,9D2
• Clave InChI: InChIKey=HGYNPCSGHWFMTB-SXJXTLPZSA-N
• SMILES: [2H]C1([2H])C(C(=O)O)C(C(=O)OCCCC(C)CCCC(=O)O)C([2H])([2H])C([2H])([2H])C1([2H])[2H]