Tofacitinib citrate
Product Description
Technical Information
Formal Name
(3R,4R)-4-methyl-3-(methyl-7H-pyrrolo [2,3-d]pyrimidin -4R-ylamino) -β-oxo-1- piperidine propanenitrile, 2-hydroxy- 1,2,3-propanetricarboxylate
CAS Number
540737-29-9
Synonyms
- CP 690,550
Molecular Formula
C16H20N6O • C6H8O7
Formula Weight
504.5
Purity
≥98%
Formulation(Request formulation change)
A crystalline solid
Solubility(Learn about Variance in Solubility)
- DMF: 5 mg/ml
- DMSO: 10 mg/ml
- DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml
λmax
216, 287 nm
SMILES
O=C(CC#N)N1CC[C@@H](C)[C@@H](N(C)C2=NC=NC3=C2C=CN3)C1.OC(CC(O)=O)(C(O)=O)CC(O)=O
InChi Code
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
InChi Key
SYIKUFDOYJFGBQ-YLAFAASESA-N