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4-Hydroxy-3-nitrophenylacetic Acid-[d5]

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General Information
Catalog: BLP-010577
CAS: 929709-59-1
Molecular Formula: C8H2D5NO5
Molecular Weight: 202.18

Chemical Structure

Description	4-Hydroxy-3-nitrophenylacetic Acid-[d5] is the labelled analogue of 4-Hydroxy-3-nitrophenylacetic Acid, which is a metabolite of Nitrotyrosine. Nitrotyrosine is excreted in the urine.
Synonyms	4-Hydroxy-3-nitrophenylacetic Acid D5; 4-Hydroxy-3-nitrobenzeneacetic Acid-d5; Antibiotic T 0007B1-d5; m-Nitro-p-hydroxyphenylacetic Acid-d5; NHPA-d5; 3-Nitro-4-hydroxy phenylacetic acid-d5
IUPAC Name	2,2-dideuterio-2-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)acetic acid
Related CAS	10463-20-4 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C([2H])([2H])C(=O)O)[2H])[N+](=O)[O-])O)[2H]
Canonical SMILES	C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O
InChI	InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)/i1D,2D,3D,4D2
InChI Key	QBHBHOSRLDPIHG-QUWGTZMWSA-N
Melting Point	141-143°C
Purity	≥95%
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Light Yellow Solid
Storage	Store at -20°C under inert atmosphere