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tofacitinib citrate
A citrate salt obtained by combining equimolar amounts of tofacitinib and citric acid. Used to treat moderately to severely active Rheumatoid Arthritis.

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03. Biological Effects of Specific Chemicals

			biochemical uses [CHEBI:52206] (3306)

				enzyme inhibitor [CHEBI:23924] (825)

					protein kinase inhibitor [CHEBI:37699] (69)

						tyrosine kinase inhibitor [CHEBI:38637] (38)

							Janus kinase inhibitor [CHEBI:66921] (4)

tofacitinib citrate [CHEBI:71197] (1)

05. Industrial Uses

			pharmaceutical [CHEBI:52217] (1978)

				drug [CHEBI:23888] (1930)

					antirheumatic drug [CHEBI:35842] (22)

tofacitinib citrate [CHEBI:71197] (1)

08. Chemical Category

			polyatomic entity [CHEBI:36357] (18777)

				heteroatomic molecular entity [CHEBI:37577] (13672)

					salt [CHEBI:24866] (931)

						organic salt [CHEBI:24868] (775)

							citrate salt [CHEBI:50744] (10)

tofacitinib citrate [CHEBI:71197] (1)

ChEBI Compound Accession Identifier:

[CHEBI:71197]

ChEBI Compound Description:

A citrate salt obtained by combining equimolar amounts of tofacitinib and citric acid. Used to treat moderately to severely active Rheumatoid Arthritis.

ChEBI Compound Identification Number:

71197

ChEBI InChI Value:

"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"

ChEBI InChIKey Value:

SYIKUFDOYJFGBQ-YLAFAASESA-N

ChEBI Compound Name:

tofacitinib citrate

ChEBI SMILES Value:

OC(=O)CC(O)(CC(O)=O)C(O)=O.C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N

ChEBI Substance ID:

160646102

ChEBI URL:

ChEBI:71197

ChemSpider ID:

Ontomatica Chemical Accession Key (OnChAKey):

SYIKUFDOYJFGBQ_YLAFAASESA_N_000_000000

PubChem Compound ID:

10174505