Tofacitinib Impurity 91

cas: 2102039-99-4 — see every product listed under this CAS number, including other names

Tofacitinib Impurity 91 (CAS 2102039-99-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT117162
cas2102039-99-4
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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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

Also listed as

Tofacitinib Impurity 100 Chemat Brand CAS 2102039-99-4