Name: D-13223-[d4]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-010752

CAS: 1216989-17-1

Molecular Formula: C14H12D4ClFN4O

Molecular Weight: 314.78

Chemical Structure

Description	D-13223-[d4] is the labelled analogue of D-13223, which is the major active metabolite of Flupirtine in human plasma.
Synonyms	D-13223 D4 (Flupirtine Metabolite D4); Flupirtine Metabolite-d4; N-[2-Amino-6-[[(4-fluorophenyl-d4)methyl]amino]-3-pyridinyl]acetamide Hydrochloride; Flupirtine Impurity 04-d4
IUPAC Name	N-[2-amino-6-[(2,3,5,6-tetradeuterio-4-fluorophenyl)methylamino]pyridin-3-yl]acetamide;hydrochloride
Related CAS	95777-69-8 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1CNC2=NC(=C(C=C2)NC(=O)C)N)[2H])[2H])F)[2H].Cl
Canonical SMILES	CC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.Cl
InChI	InChI=1S/C14H15FN4O.ClH/c1-9(20)18-12-6-7-13(19-14(12)16)17-8-10-2-4-11(15)5-3-10;/h2-7H,8H2,1H3,(H,18,20)(H3,16,17,19);1H/i2D,3D,4D,5D;
InChI Key	SNFKATSAUGOEKK-QZFMBAIXSA-N
Melting Point	>212°C (dec.)
Purity	≥96%; ≥98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white to Light Beige Solid
Application	The major active labelled metabolite of Flupirtine in human plasma.
Storage	Store at -20°C