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Laquinimod-[d5] Sodium Salt

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Laquinimod-[d5] Sodium Salt

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General Information
Catalog: BLP-004426
CAS: 1354744-14-1
Molecular Formula: C19H11D5ClN2NaO3
Molecular Weight: 383.82

Chemical Structure

Description	Laquinimod-[d5] Sodium Salt is the labelled derivative of Laquinimod. Laquinimod is an oral drug used for treatment of lupus arthritis.
Synonyms	5-Chloro-N-ethyl-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-N-(phenyl-d5)-3-quinolinecarboxamide Sodium Salt; N-Ethyl-N-(phenyl-d5)-1,2-dihydro-4-hydroxy-5-chloro-1-methyl-2-oxoquinoline-3-carboxamide Sodium Salt; Laquinimod-d5 Sodium Salt
IUPAC Name	sodium;5-chloro-3-[ethyl-(2,3,4,5,6-pentadeuteriophenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
Related CAS	248282-07-7 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])N(CC)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)[O-])[2H])[2H].[Na+]
Canonical SMILES	CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)[O-].[Na+]
InChI	InChI=1S/C19H17ClN2O3.Na/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24;/h4-11,23H,3H2,1-2H3;/q;+1/p-1/i4D,5D,6D,8D,9D;
InChI Key	JWHPPWBIIQMBQC-MPSGHZBBSA-M