Products 2407039-29-4

CAS 2407039-29-4 appears in our catalog under these names: Tofacitinib Impurity 45, Tofacitinib Impurity 136, CP-690550 N-Hydroxyl, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 25mg.

Tofacitinib Impurity 45
Chemat Brand
  • size: on request
  • Variants: 1
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Tofacitinib Impurity 136
Chemat Brand
  • size: on request
  • Variants: 1
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CP-690550 N-Hydroxyl, >95% (HPLC)
TRC
  • size: 10mg, 25mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

3-[(3R,4R)-3-[(7-hydroxypyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile (CAS 2407039-29-4) is a chemical compound with the molecular formula C16H20N6O2 and a molecular weight of 328.37 g/mol. IUPAC name: 3-[(3R,4R)-3-[(7-hydroxypyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile. InChIKey: HMCFODVPOXQYHJ-YPMHNXCESA-N.

Identity
Molecular formulaC16H20N6O2
Molecular weight328.37 g/mol
IUPAC name3-[(3R,4R)-3-[(7-hydroxypyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
InChIKeyHMCFODVPOXQYHJ-YPMHNXCESA-N
SMILESC[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3O)C(=O)CC#N

Computed by PubChem (NCBI)

Synonyms: Tofacitinib Impurity 136
Isomers (same molecular formula)
N-[(3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine oxide C16H20N6O2
3-[(3R,4R)-4-methyl-3-[methyl-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O2
3-[(3R,4R)-4-methyl-3-[methyl-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O2
3-[(3R,4R)-4-methyl-3-[methyl-(5-oxo-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O2
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl acetate C16H20N6O2