Products 1346599-56-1

CAS 1346599-56-1 appears in our catalog under these names: Tolvaptan Impurity 1 (DM-4103), Tolvaptan gamma-Oxobutanoic Acid Impurity, DM-4103. Offered by: Chemat Brand, TRC, Biosynth, MedChemExpress. Available pack sizes: on request, 50mg, 5mg, 10mg, 25mg, Get quote.

Structural formula: {0} (CAS {1})

DM-4103 is a 4-oxo monocarboxylic acid that is 4-oxobutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An oxobutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan. It has a role as a drug metabolite. It is a 4-oxo monocarboxylic acid and a benzenedicarboxamide. It is functionally related to a tolvaptan.

Source: ChEBI

Identity
Molecular formulaC26H23ClN2O5
Molecular weight478.9 g/mol
IUPAC name4-[5-chloro-2-[[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]amino]phenyl]-4-oxobutanoic acid
InChIKeyPRTSBHBGYFDAAS-UHFFFAOYSA-N
SMILESCC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)CCC(=O)O)C

Computed by PubChem (NCBI)