Tofacitinib Impurity 80

cas: 2328165-36-0 — see every product listed under this CAS number, including other names

Tofacitinib Impurity 80 (CAS 2328165-36-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT117024
cas2328165-36-0
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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purityNo data
categoryChemicals
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Structural formula: {0} (CAS {1})

3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoic acid (CAS 2328165-36-0) is a chemical compound with the molecular formula C16H21N5O3 and a molecular weight of 331.37 g/mol. IUPAC name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoic acid. InChIKey: NMGRKBVNLVHWSQ-PWSUYJOCSA-N.

Identity
Molecular formulaC16H21N5O3
Molecular weight331.37 g/mol
IUPAC name3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoic acid
InChIKeyNMGRKBVNLVHWSQ-PWSUYJOCSA-N
SMILESC[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: Tofacitinib Impurity S
Isomers (same molecular formula)
tert-butyl N-[2-(3-benzamido-1H-1,2,4-triazol-5-yl)ethyl]carbamate C16H21N5O3
(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide C16H21N5O3
ethyl 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate C16H21N5O3

Also listed as

Tofacitinib Impurity 134 Chemat Brand CAS 2328165-36-0
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoic acid, 98% Chemat Brand CAS 2328165-36-0
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoic Acid, >95% (HPLC) TRC CAS 2328165-36-0