Tofacitinib Impurity 34 (Chlorotofacitinib)

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

Tofacitinib Impurity 34 (Chlorotofacitinib) (CAS 1616761-00-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-T0086.36
cas1616761-00-2
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Structural formula: {0} (CAS {1})

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 formulaC16H19ClN6O
Molecular weight346.81 g/mol
IUPAC name3-[(3R,4R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
InChIKeyPBBKAMYFZVSJCI-PWSUYJOCSA-N
SMILESC[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

Also listed as

(3S,4S)-2-Chloro-Tofacitinib Biosynth CAS 1616761-00-2
N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine, >95% (HPLC) TRC CAS 1616761-00-2
N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine, 97%, 97% Chemat CAS 1616761-00-2
Tofacitinib impurity 3, 99.84% MedChemExpress CAS 1616761-00-2
3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile, 97% 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile, 97% Fluorochem CAS 1616761-00-2