Products 2102039-99-4

CAS 2102039-99-4 appears in our catalog under these names: Tofacitinib Impurity 91, Tofacitinib Impurity 100. Offered by: Chemat Brand. Available pack sizes: on request.

Tofacitinib Impurity 91
Chemat Brand
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  • Variants: 1
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Tofacitinib Impurity 100
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Ethyl 4-cyano-3-imino-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopentanoate (CAS 2102039-99-4) is a chemical compound with the molecular formula C21H27N7O3 and a molecular weight of 425.5 g/mol. IUPAC name: ethyl 4-cyano-3-imino-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopentanoate. InChIKey: CGJDKDFXFRVKJG-OJKDSEEBSA-N.

Identity
Molecular formulaC21H27N7O3
Molecular weight425.5 g/mol
IUPAC nameethyl 4-cyano-3-imino-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopentanoate
InChIKeyCGJDKDFXFRVKJG-OJKDSEEBSA-N
SMILESCCOC(=O)CC(=N)C(C#N)C(=O)N1CC[C@H]([C@H](C1)N(C)C2=NC=NC3=C2C=CN3)C

Computed by PubChem (NCBI)

Synonyms: Tofacitinib Impurity 100
Isomers (same molecular formula)
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol C21H27N7O3
ethyl (E)-3-amino-2-cyano-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopent-2-enoate C21H27N7O3