ABC00151HN

(3)-Allopregnanolone Sulfate Sodium Salt

(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 Request
Molecular Formula C21H33NaO5S
Molecular Weight 420.5000
CAS Number 215996-42-2 โœ“ Verified
Purity N/A
Product Type API Impurity
Parent Drug Allopregnanolone
Lead Time On Request
IUPAC Name sodium [(3S,5S,10S,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate

๐Ÿ“ Synonyms

215996-42-2 (3beta)-Allopregnanolone Sulfate Sodium Salt sodium;[(3S,5S,10S,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate (3b)-Allopregnanolone Sulfate Sodium Salt (3ss,5a)-3-(Sulfooxy)pregnan-20-one Sodium Salt; 3ss-Hydroxy-5a-pregnan-20-one Sulfate Sodium Salt; (3 A)-Allopregnanolone Sulfate Sodium Salt A-Hydroxy-5 A-pregnan-20-one Sulfate Sodium Salt

๐Ÿ”ฌ Chemical Identifiers

CC(=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
DTEMMUZNTWFYGK-OUJOLINGSA-M

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