API0232977

Fedratinib Hydrochloride

Febuxostat is used for gout.

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Pharm Gradet

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CAS No.

1374744-69-0
Synonyms

1374744-69-0; fedratinib hydrochloride; Fedratinib dihydrochloride monohydrate
CHEMBL ID

CHEMBL4297216
Compound CID

67517580

Molecular Weight (g/mol)

615.6
Molecular Formula

C27H40Cl2N6O4S
InChI

InChI=1S/C27H36N6O3S.2ClH.H2O/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4;;;/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31);2*1H;1H2
InChIKey

QAFZLTVOFJHYDF-UHFFFAOYSA-N
SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4.O.Cl.Cl
IUPAC Name

N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;hydrate;dihydrochloride
Exact Mass (Da)

614.2208803
Monoisotopic Mass (Da)

614.2208803

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