API0233635

Revumenib citrate

Revefenacin is used to treat chronic obstructive pulmonary disease (COPD).

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Molecular Weight (g/mol)

841
Molecular Formula

C38H57FN6O12S
InChI

InChI=1S/C32H47FN6O4S.C6H8O7.H2O/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2;7-3(8)1-6(13,5(11)12)2-4(9)10;/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChIKey

UBXFWTFPYATLBT-UHFFFAOYSA-N
SMILES

CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
IUPAC Name

N-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Exact Mass (Da)

840.37392061
Monoisotopic Mass (Da)

840.37392061

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