Tofacitinib Impurity 25

cas: 2227199-31-5 — see every product listed under this CAS number, including other names

Tofacitinib Impurity 25 (CAS 2227199-31-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT117102
cas2227199-31-5
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Butyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate (CAS 2227199-31-5) is a chemical compound with the molecular formula C20H29N5O3 and a molecular weight of 387.5 g/mol. IUPAC name: butyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate. InChIKey: IQFJFTIXSPNYQX-ZBFHGGJFSA-N.

Identity
Molecular formulaC20H29N5O3
Molecular weight387.5 g/mol
IUPAC namebutyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate
InChIKeyIQFJFTIXSPNYQX-ZBFHGGJFSA-N
SMILESCCCCOC(=O)CC(=O)N1CC[C@H]([C@H](C1)N(C)C2=NC=NC3=C2C=CN3)C

Computed by PubChem (NCBI)

Synonyms: Tofacitinib n-butyl 3-oxopropanoate
Isomers (same molecular formula)
6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione C20H29N5O3
1,3-dimethyl-6-[3-[2,2,6,6-tetradeuterio-4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione C20H29N5O3
1,3-dimethyl-6-[3-[4-[2-(trideuteriomethoxy)phenyl]piperazin-1-yl]propylamino]pyrimidine-2,4-dione C20H29N5O3
tert-butyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate C20H29N5O3
6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione C20H29N5O3
3-[2-amino-5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]phenyl]propanoic acid C20H29N5O3
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine C20H29N5O3

Also listed as

Tofacitinib Impurity 135 discontinued see RM-T060353 Chemat Brand CAS 2227199-31-5
Tofacitinib Impurity 27 Chemat Brand CAS 2227199-31-5
N-Butyl 3-Oxopropanoate Tofacitinib TRC CAS 2227199-31-5