N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine, >95% (HPLC)

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

N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine, >95% (HPLC) (CAS 1616761-00-2) is a chemical reagent available from Chemat. Available pack sizes: 2,5mg, 25mg. Offered by: TRC.

• 2D
• 3D

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