Guanfacine-13C, 15N3

• CAT Number: R010399
• CAS Number: 1189924-28-4
• Molecular Formula: C9H9Cl2N3O
• Molecular Weight: 250.063
• Purity: ≥95%
• Synonyms: N-(Aminoiminomethyl)-2,6-dichlorobenzeneacetamide-13C, 15N3; N-Amidino-2-(2,6-dichlorophenyl)acetamide-13C, 15N3; [(2,6-Dichlorophenyl)acetyl]guanidine-13C,15N3; Guanfascine-13C,15N3; Guarfacine-13C, 15N3
• Storage: Store at RT
• IUPAC Name: N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
• InChI: InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)/i9+1,12+1,13+1,14+1
• InChIKey: INJOMKTZOLKMBF-DATIIYMNSA-N
• SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)[15N]=[13C]([15NH2])[15NH2])Cl

Guanfacine-13C, 15N3 is a carbon-13 and nitrogen-15 labeled form of guanfacine, featuring three nitrogen-15 isotopes and carbon-13 isotopes at specific positions. This compound is used in pharmaceutical and biochemical research to enhance the precision of analytical techniques like NMR and mass spectrometry. Guanfacine is an alpha-2 adrenergic agonist used to treat hypertension and attention deficit hyperactivity disorder (ADHD). The isotopic labeling facilitates detailed studies of the drug’s metabolism, pharmacokinetics, and binding interactions. It allows researchers to track guanfacine’s behavior in biological systems, optimize drug formulations, and investigate its mechanisms of action and therapeutic efficacy.