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Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate.

Brüning J, Trepte TK, Bats JW, Schmidt MU - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: Pharm.Sci.86, 1239-1244].These layers are connected along the b-axis direction only by a possible hydrogen-bonding contact involving the partially occupied water mol-ecule.

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ABSTRACT
The title compound, C(37)H(67)NO(13)·2C(2)H(6)OS·1.43H(2)O, is a macrolide anti-biotic with better solubility and better dermal penetration abilities than erythromycin A itself. The asymmetric unit of this form contains one erythromycin A mol-ecule, two dimethyl sulfoxide (DMSO) solvent mol-ecules, a fully occupied water mol-ecule and a partially occupied water mol-ecule with an occupancy factor of 0.432 (11). The 14-membered ring of the erythronolide fragment has a conformation which differs considerably from that in erythromycin A dihydrate [Stephenson, Stowell, Toma, Pfeiffer & Byrn (1997 ▶). J. Pharm. Sci.86, 1239-1244]. One of the two DMSO mol-ecules is disordered over two orientations; the orientation depends on the presence or absence of the second, partially occupied, water mol-ecule. In the crystal, erythromycin mol-ecules are connected by O-H⋯O hydrogen bonds involving the hy-droxy groups and the fully occupied water mol-ecule to form layers parallel to (010). These layers are connected along the b-axis direction only by a possible hydrogen-bonding contact involving the partially occupied water mol-ecule.

No MeSH data available.


Related in: MedlinePlus

The asymmetric unit of (I) at 296 K with the numbering scheme of the atoms. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. Atoms belonging to the second orientation of the disordered DMSO solvate molecule have been omitted for clarity.
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Fap1: The asymmetric unit of (I) at 296 K with the numbering scheme of the atoms. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. Atoms belonging to the second orientation of the disordered DMSO solvate molecule have been omitted for clarity.


Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate.

Brüning J, Trepte TK, Bats JW, Schmidt MU - Acta Crystallogr Sect E Struct Rep Online (2012)

The asymmetric unit of (I) at 296 K with the numbering scheme of the atoms. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. Atoms belonging to the second orientation of the disordered DMSO solvate molecule have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3295479&req=5

Fap1: The asymmetric unit of (I) at 296 K with the numbering scheme of the atoms. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. Atoms belonging to the second orientation of the disordered DMSO solvate molecule have been omitted for clarity.
Bottom Line: Pharm.Sci.86, 1239-1244].These layers are connected along the b-axis direction only by a possible hydrogen-bonding contact involving the partially occupied water mol-ecule.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(37)H(67)NO(13)·2C(2)H(6)OS·1.43H(2)O, is a macrolide anti-biotic with better solubility and better dermal penetration abilities than erythromycin A itself. The asymmetric unit of this form contains one erythromycin A mol-ecule, two dimethyl sulfoxide (DMSO) solvent mol-ecules, a fully occupied water mol-ecule and a partially occupied water mol-ecule with an occupancy factor of 0.432 (11). The 14-membered ring of the erythronolide fragment has a conformation which differs considerably from that in erythromycin A dihydrate [Stephenson, Stowell, Toma, Pfeiffer & Byrn (1997 ▶). J. Pharm. Sci.86, 1239-1244]. One of the two DMSO mol-ecules is disordered over two orientations; the orientation depends on the presence or absence of the second, partially occupied, water mol-ecule. In the crystal, erythromycin mol-ecules are connected by O-H⋯O hydrogen bonds involving the hy-droxy groups and the fully occupied water mol-ecule to form layers parallel to (010). These layers are connected along the b-axis direction only by a possible hydrogen-bonding contact involving the partially occupied water mol-ecule.

No MeSH data available.


Related in: MedlinePlus