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Acedoben-[d4]

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General Information
Catalog: BLP-011759
CAS: 1794786-68-7
Molecular Formula: C9H5D4NO3
Molecular Weight: 183.19

Chemical Structure

Description	Acedoben-[d4] is the labelled analogue of Acedoben, the acetylated derivative of p-aminobenzoic acid (PABA). Acedoben is a metabolite of the anesthetic Benzocaine.
Synonyms	Acedoben D4; 4-(Acetylamino)benzoic Acid-d4; 4-Acetamidobenzoic Acid-d4; 4'-Carboxyacetanilide-d4; N-Acetyl-p-aminobenzoic Acid-d4; NSC 4002-d4; p-(Acetoamino)benzoic Acid-d4; p-(Acetylamino)benzoic Acid-d4; p-Acetamidobenzoic Acid-d4
IUPAC Name	4-acetamido-2,3,5,6-tetradeuteriobenzoic acid
Related CAS	556-08-1 (unlabelled)
Canonical SMILES	CC(=O)NC1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)/i2D,3D,4D,5D
InChI Key	QCXJEYYXVJIFCE-QFFDRWTDSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C