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Tofacitinib Citrate

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For Research Use Only | Not For Clinical Use
CATAPS540737299
CAS540737-29-9
Structure
MDL NumberMFCD11616529
Synonyms(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), CP 690500-10, Tasocitinib citrate, Xeljanz, 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 690550-10, Tofacitinib citrate
IUPAC Name2-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
Molecular Weight504.49
Molecular FormulaC16H20N6O.C6H8O7
Canonical SMILESC[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
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
InChI KeySYIKUFDOYJFGBQ-YLAFAASESA-N
Description≥98% (HPLC)
SolubilityDMSO: 5 mg/mL (clear solution; warmed)
Accurate Mass504.1969
API FamilyMatrix - API Family Tofacitinib Citrate
Assay≥98% (HPLC)
Colorwhite to beige
Formpowder
FormatNeat
Product TypeAPI
ShippingRoom Temperature
Size250MG
Storage Conditions+5°C
SubcategoryAPI standards, Immunosuppressants, Mikromol
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