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CAS RN 540737-29-9

CAS RN 540737-29-9

IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-{4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl}-3-oxopropanenitrile
Synonyms: citric acid; tofacitinib
Molecular Weight (g/mol): 504.5
Molecular Formula: C22H28N6O8
InChi Key: SYIKUFDOYJFGBQ-UHFFFAOYNA-N
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC1CCN(CC1N(C)C1=C2C=CNC2=NC=N1)C(=O)CC#N
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1

CP 690550 citrate, Tocris Bioscience™
GSA_VA GREENER_CHOICE

CAS: 540737-29-9 Molecular Formula: C22H28N6O8 Molecular Weight (g/mol): 504.5 InChI Key: SYIKUFDOYJFGBQ-YLAFAASESA-N Synonym: tofacitinib citrate,tasocitinib citrate,unii-o1ff4div0d,tofacitinib cp-690550 citrate,cp 690550 citrate,o1ff4div0d,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,3r,4r-4-methyl-3-methyl-7h-pyrrolo 2,3-d pyrimidin-4-ylamino-beta-oxo-1-piperidinepropanenitrile citrate salt,cp-690550 citrate PubChem CID: 10174505 ChEBI: CHEBI:71197 IUPAC Name: 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: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

PubChem CID 10174505
CAS 540737-29-9
Molecular Weight (g/mol) 504.5
ChEBI CHEBI:71197
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
Synonym tofacitinib citrate,tasocitinib citrate,unii-o1ff4div0d,tofacitinib cp-690550 citrate,cp 690550 citrate,o1ff4div0d,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,3r,4r-4-methyl-3-methyl-7h-pyrrolo 2,3-d pyrimidin-4-ylamino-beta-oxo-1-piperidinepropanenitrile citrate salt,cp-690550 citrate
IUPAC Name 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
InChI Key SYIKUFDOYJFGBQ-YLAFAASESA-N
Molecular Formula C22H28N6O8
2

Thermo Scientific Chemicals Tofacitinib citrate

CAS: 540737-29-9 Molecular Formula: C22H28N6O8

CAS 540737-29-9
Molecular Formula C22H28N6O8