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Tofacitinib Citrate

Tofacitinib Citrate / CAS : 540737-29-9

Appearance white powder UN 0.0
HS 29335990 DG Class 0.0
Synonyms Tofacitinib (Citrate); 3-((3R,4R)-4-Methyl-3-(Methyl(7H-Pyrrolo[2,3-d]Pyrimidin-4-yl)Amino)Piperidin-1-yl)-3-Oxopropanenitrile 2-Hydroxypropane-1,2,3-Tricarboxylate; Tofacitinibcitrate; 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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Properties

Summary

Formula
C22H28N6O8
Molecular Mass
504.49300
Exact Mass
504.19700
PSA
221.04000
Logp
0.23418
IUPAC
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
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)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
API & Intermediate > Immune System Medication

Chemical and Physical Properties

Melting Point
201 °C (decomp)
Appearance
white powder

Export information

HS Code
29335990
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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