(3)-Allopregnanolone sulfate sodium salt is a sulfated derivative of the neurosteroid allopregnanolone, featuring a 5ฮฑ-pregnan-3ฮฑ-ol core with a sulfate ester at the C3 position and sodium counterions. The 3ฮฒ-hydroxyl group of the parent compound is converted to a sulfonic ester, introducing a negatively charged sulfonate moiety stabilized by sodium cations. This impurity arises during synthetic processes involving allopregnanolone, particularly under acidic or oxidative conditions, and serves as a critical HPLC reference standard for quantifying sulfation byproducts in pharmaceutical development.
On RequestCC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]
InChI=1S/C21H34O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h14-19H,4-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t14-,15-,16?,17+,18?,19?,20-,21+;/m0./s1
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