Chemical Compound

Tofacitinib citrate

CAS Registry Number 540737-29-9
Tofacitinib citrate chemical structure
Primary Record

Tofacitinib citrate

In stock
8,347 g
Purity
98.4 %
CAS
540737-29-9

Compound Identifiers & Properties

CAS
540737-29-9
PubChem CID
22280329
SMILES
CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Canonical SMILES
CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

Names & Synonyms

  • Tofacitinib citrate
  • Tofacitinib
  • Tasocitinib citrate
  • Tofacitinib Impurity 133
  • SCHEMBL6282362
  • HMS3652F14
  • HMS5084O07
  • 344418-92-4(free base)
  • 540737-29-9
  • BCP07333
  • AKOS026750466
  • PB31590
  • AK117841
  • PD056040
  • 3-(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate
  • N/A
  • CP-690550;Tasocitinib citrate; CP-690550 citrate; CP 690550 citrate; CP690550 citrate
  • (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-1-PIPERIDINEPROPANENITRILE CITRATE SALT
  • 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
  • 3-(4-methyl-3-(methyl (7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile citric acid