Tofacitinib Citrate
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
Molecular Identity
Tofacitinib Citrate
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
PubChem CID: 10174505
Tofacitinib citrate is a citrate salt obtained by combining equimolar amounts of tofacitinib and citric acid. Used to treat moderately to severely active Rheumatoid Arthritis. It has a role as an antirheumatic drug and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It contains a tofacitinib.
2D Structure
Properties
C22H28N6O8
Molecular Formula
504.50
Molecular Weight
g/mol
504.1969
Exact Mass
Da
221
TPSA
May have limited oral absorption
5
H-Bond Donors
12
H-Bond Acceptors
716
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)OIsomeric SMILES
SMILES: C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)OSynonyms(20)
Tofacitinib citrate540737-29-9Tasocitinib citrateXeljanzCP-690550 citrateXeljanz XrTasocitinib monocitrateCP-690550-10CP-690,550-10O1FF4DIV0DTofacitinib monocitrateCHEBI:71197DTXSID802024041-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-beta-OXO-, (3R,4R)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-, (3R,4R)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Data from PubChem (NCBI)
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Trials and conditions connected to Tofacitinib Citrate
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