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Guanfacine-[13C,15N3]

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General Information
Catalog: BLP-012378
CAS: 1189924-28-4
Molecular Formula: C8[13C]H9Cl2[15N]3O
Molecular Weight: 250.07

Chemical Structure

Description	Guanfacine-[13C,15N3] is the labelled analogue of Guanfacine. Guanfacine is a medication used for the treatment of hypertension and attention deficit hyperactivity disorder (ADHD).
Synonyms	Guanfacine 13C 15N3; N-(Aminoiminomethyl)-2,6-dichlorobenzeneacetamide-13C, 15N3; N-Amidino-2-(2,6-dichlorophenyl)acetamide-13C,15N3; [(2,6-Dichlorophenyl)acetyl]guanidine-13C,15N3
IUPAC Name	N-[bis(15N)(azanyl)(1-13C)methylidene]-2-(2,6-dichlorophenyl)acetamide
Related CAS	29110-47-2 (unlabelled)
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)CC(=O)[15N]=[13C]([15NH2])[15NH2])Cl
Canonical SMILES	C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl
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
InChI Key	INJOMKTZOLKMBF-DATIIYMNSA-N
Melting Point	208-211°C
Purity	95% by HPLC; 95% atom 13C; 95% atom 15N
Density	1.5±0.1 g/cm3
Solubility	Soluble in Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C, Under inert atmosphere