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Sulfasalazine-[d4]

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General Information
Catalog: BLP-012601
CAS: 1346606-50-5
Molecular Formula: C18H10D4N4O5S
Molecular Weight: 402.42

Chemical Structure

Description	Sulfasalazine-[d4] is the labelled analogue of Sulfasalazine, which could be used as an anti-inflammatory agent.
Synonyms	Sulfasalazine D4; (3E)-6-Oxo-3-[2-(4-{[(2H4)pyridin-2-yl]sulfamoyl}phenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid; 2-Hydroxy-5-[[4-[(2-pyridinylamino-d4)sulfonyl]phenyl]azo]benzoic Acid; 5-[[p-(2-Pyridylsulfamoyl-d4)phenyl]azo]salicylic Acid
IUPAC Name	2-hydroxy-5-[[4-[(3,4,5,6-tetradeuteriopyridin-2-yl)sulfamoyl]phenyl]diazenyl]benzoic acid
Related CAS	599-79-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=NC(=C1[2H])NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O)[2H])[2H]
Canonical SMILES	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
InChI	InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/i1D,2D,3D,10D
InChI Key	NCEXYHBECQHGNR-ATCXJBGESA-N
Boiling Point	689.3±65.0 °C at 760 mmHg
Melting Point	245-250°C (dec.)
Purity	95% by HPLC; 95% atom D
Density	1.5±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Yellow to Orange Solid
Storage	Store at -20°C