Tofacitinib Impurity C (Citrate)

Impurity

This molecule is a impurity of Tofacitinib.

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Impurity

Tofacitinib Impurity C (Citrate)

Cat. No. ANTPRD8838CAS 2174011-55-1In StockSynthesized

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Technical Data

Cat. No.ANTPRD8838

CAS2174011-55-1

Rel. CAS1092578-47-6 (free base)

Mol. FormulaC₂₂H₂₈N₆O₈

Mol. Weight504.5 g/mol

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

SMILESC[C@H]1CCN(C(=O)CC#N)C[C@H]1N(C)c1ncnc2[nH]ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

InChIInChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m0./s1

InChI KeySYIKUFDOYJFGBQ-STEACBGWSA-N

Description

Overview

Tofacitinib Impurity C (Citrate), Tofacitinib, 2174011-55-1, 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

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Synonyms

(3S,4S)-Tofacitinib Citrate2-hydroxypropane-1,2,3-tricarboxylicacid;3-[(3S,4S)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile3-((3S,4S)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate(3S,4S)-TOFACITINIB MONOCITRATETofacitinib citrate, (3S,4S)-GLXC-252541-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-, (3S,4S)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(3S,4S)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile3-((3S,4S)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile2-hydroxypropane-1,2,3-tricarboxylate