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4-Anilino-4-oxobutanoic Acid-[d5]

General Information
Catalog: BLP-010525
CAS: 840529-98-8
Molecular Formula: C10H6D5NO3
Molecular Weight: 198.23
Chemical Structure
4-Anilino-4-oxobutanoic Acid-[d5]
Description 4-Anilino-4-oxobutanoic Acid-[d5] is the labelled analogue of 4-Anilino-4-oxobutanoic Acid, which is the metabolite (MII) of Suberoylanilide Hydroxamic Acid.
Synonyms 4-Anilino-4-oxobutanoic Acid D5; N-Phenyl-d5-succinamic Acid; Butanedioic Acid Anilide-d5; 4-Oxo-4-(phenyl-d5-amino)-butanoic Acid; 4-Anilino-d5-4-oxobutanoic Acid
IUPAC Name 4-oxo-4-(2,3,4,5,6-pentadeuterioanilino)butanoic acid
Related CAS 102-14-7 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])NC(=O)CCC(=O)O)[2H])[2H]
Canonical SMILES C1=CC=C(C=C1)NC(=O)CCC(=O)O
InChI InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
InChI Key KTFGFGGLCMGYTP-RALIUCGRSA-N
Boiling Point 462.29ºC at 760 mmHg
Melting Point 146-149°C
Purity 98%; ≥99% atom D
Density 1.32g/cm3
Solubility Very slightly soluble in DMSO; Slightly soluble in Methanol
Appearance Off-white Solid
Storage Store at 2-8°C under inert atmosphere

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