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Crystal Structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclo-hexa-1,4-dien-1-yl)hepta-noate 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium Monohydrate: A New Solid Form of Seratrodast

Crystal Structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclo-hexa-1,4-dien-1-yl)hepta-noate 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium Monohydrate: A New Solid Form of Seratrodast

Benyong Lou

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 20;70(Pt 10):228-30.

PMID: 25484659

Abstract:

In the title hydrated salt, C4H12NO3 (+)·C22H25O4 (-)·H2O, seratrodast [systematic name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclo-hexa-1,4-dien-1-yl)hepta-noic acid] crystallized with trometamol [systematic name: 2-amino-2-(hydroxyméth-yl)propane-1,3-diol] to form a monohydrated salt form of seratrodast. The carb-oxy-lic acid group of seratrodast has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked to the water mol-ecules and to each other by N-H⋯O and O-H⋯O hydrogen bonds forming sheets parallel to (100). The seratrodast anions are linked to both sides of these sheets by O-H⋯O and C-H⋯O hydrogen bonds, forming a three-layer two-dimensional structure. After forming the title salt, the solubility of seratrodast was found to be greatly improved.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP112665437	Seratrodast		112665-43-7	Price

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