3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile, 97%

cas: 1616761-00-2 — see every product listed under this CAS number, including other names

3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile, 97% (CAS 1616761-00-2) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 50mg, 100mg. Offered by: Fluorochem.

brand	Fluorochem
catalog number	F789629-10MG
cas	1616761-00-2
size	10mg

Documents: Safety Data Sheet (MSDS)

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3-[(3R,4R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile (CAS 1616761-00-2) is a chemical compound with the molecular formula C16H19ClN6O and a molecular weight of 346.81 g/mol. IUPAC name: 3-[(3R,4R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile. InChIKey: PBBKAMYFZVSJCI-PWSUYJOCSA-N.

Identity

Molecular formula	C16H19ClN6O
Molecular weight	346.81 g/mol
IUPAC name	3-[(3R,4R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
InChIKey	PBBKAMYFZVSJCI-PWSUYJOCSA-N
SMILES	C[C@@H]1CCN(C[C@@H]1N(C)C2=NC(=NC3=C2C=CN3)Cl)C(=O)CC#N

Computed by PubChem (NCBI)

Synonyms: 2-Chloro-tofacitinib, Tofacitinib Impurity 68, Tofacitinib Impurity 7, (3S,4S)-2-Chloro-Tofacitinib, orb3181371

Isomers (same molecular formula)

2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol C₁₆H₁₉ClN₆O