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Tofacitinib Citrate, Mikromol™
Description
Tofacitinib Citrate
Specifications
Specifications
| Chemical Name or Material | Tofacitinib Citrate |
| CAS | 540737-29-9 |
| Analyte or Component Names | Tofacitinib Citrate |
| Shipping Condition | Room Temperature |
| Molecular Formula | C16 H20 N6 O . C6 H8 O7 |
| Certifications/Compliance | ISO 17034 |
| Synonym | (3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile 2-Hydroxy-1,2,3-propanetricarboxylate (1:1), 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI), CP 690500-10, CP 690550-10, Tasocitinib citrate, Tofacitinib citrate, Xeljanz |
| InChI Formula | InChI=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+;/m1./s1 |
| SMILES | C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N.OC(=O)CC(O)(CC(=O)O)C(=O)O |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile |
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