2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-Isoquinolinetriol Hemisulfate Hydrate

CAS: 153657-83-1, 94120-05-5

Ref. TR-D479560

Información del producto

• Nombre: 2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-Isoquinolinetriol Hemisulfate Hydrate
• Sinónimos: Terbutaline Sulfate Impurity B Hemisulfate Hydrate
• Marca: TRC
• Descripción: Stability HygroscopicApplications 2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-Isoquinolinetriol Hemisulfate Hydrate is a salt form of 2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-isoquinolinetriol (CAS 94120-05-5) which is used in analytical study of identification of degradation products and process impurities from terbutaline sulfate by UHPLC-Q-TOF-MS/MS and In silico toxicity prediction.References Zhou, N., et al.: Chromatographia, 80, 793 (2017)

Propiedades químicas

• Peso molecular: 2237.3098071802
• Fórmula: (C₁₃H₁₉NO₃)•H₂SO₄•x(H₂O)
• Color/Forma: Neat
• InChI: InChI=1S/C13H19NO3.H2O4S/c1-13(2,3)14-6-10-9(12(17)7-14)4-8(15)5-11(10)16;1-5(2,3)4/h4-5,12,15-17H,6-7H2,1-3H3;(H2,1,2,3,4)
• Clave InChI: InChIKey=OKHZGSNYOXJTMA-UHFFFAOYSA-N
• SMILES: CC(C)(C)N1Cc2c(O)cc(O)cc2C(O)C1.O=S(=O)(O)O