Products 2280085-84-7

CAS 2280085-84-7 appears in our catalog under these names: Tofacitinib Impurity 212, Tofacitinib Impurity 51. Offered by: Chemat Brand. Available pack sizes: on request.

Tofacitinib Impurity 212
Chemat Brand
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  • Variants: 1
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Tofacitinib Impurity 51
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-[[2-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]amino]ethanone;hydrochloride (CAS 2280085-84-7) is a chemical compound with the molecular formula C30H42ClN11O2 and a molecular weight of 624.2 g/mol. IUPAC name: 1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-[[2-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]amino]ethanone;hydrochloride. InChIKey: JCBCKCQTUVIZAH-FORRIVCFSA-N.

Identity
Molecular formulaC30H42ClN11O2
Molecular weight624.2 g/mol
IUPAC name1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-[[2-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]amino]ethanone;hydrochloride
InChIKeyJCBCKCQTUVIZAH-FORRIVCFSA-N
SMILESC[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CNCC(=O)N4CC[C@H]([C@H](C4)N(C)C5=NC=NC6=C5C=CN6)C.Cl

Computed by PubChem (NCBI)

Synonyms: Tofacitinib Impurity N49