Ent-Edoxaban 4-Methylbenzenesulfonate

cas: 2605225-75-8 — see every product listed under this CAS number, including other names

Ent-Edoxaban 4-Methylbenzenesulfonate (CAS 2605225-75-8) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-E322280-10MG
cas2605225-75-8
size10mg
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Structural formula: {0} (CAS {1})

N'-(5-chloro-2-pyridinyl)-N-[(1R,2S,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid (CAS 2605225-75-8) is a chemical compound with the molecular formula C31H38ClN7O7S2 and a molecular weight of 720.3 g/mol. IUPAC name: N'-(5-chloro-2-pyridinyl)-N-[(1R,2S,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid. InChIKey: ZLFZITWZOYXXAW-YKVDAXPVSA-N.

Identity
Molecular formulaC31H38ClN7O7S2
Molecular weight720.3 g/mol
IUPAC nameN'-(5-chloro-2-pyridinyl)-N-[(1R,2S,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid
InChIKeyZLFZITWZOYXXAW-YKVDAXPVSA-N
SMILESCC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC2=C(C1)SC(=N2)C(=O)N[C@H]3C[C@@H](CC[C@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C

Computed by PubChem (NCBI)

Synonyms: Ent-Edoxaban 4-Methylbenzenesulfonate, Edoxaban Impurity 98 (p-Toluenesulfonic acid)
Related forms of this compound
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid C31H38ClN7O7S2