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Pregnenolone-20,21-13C2-16,16-[d2] sulfate sodium salt

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General Information
Catalog: BLP-001196
Molecular Formula: C19[13C]2H29D2NaO5S
Molecular Weight: 422.52

Chemical Structure

Description	Labelled form of Pregnenolone sulfate sodium salt. Pregnenolone sulfate, a metabolite of the natural steroid hormone pregnenolone, is a neurosteroid that has been demonstrated to antagonize the GABAA receptor chloride channel.
Synonyms	3β-Hydroxy-5-pregnen-20-one 3-sulfate-20,21-13C2-16,16-d2; 5-Pregnen-3β-ol-20-one sulfate-20,21-13C2-16,16-d2
IUPAC Name	sodium;[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-16,16-dideuterio-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
Related CAS	1852-38-6 (unlabelled)
Canonical SMILES	CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+]
InChI	InChI=1S/C21H32O5S.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;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16-,17+,18-,19-,20-,21+;/m0./s1/i1+1,6D2,13+1;
InChI Key	QQVJEIZJHDPTSH-FBNNKSCBSA-M
Melting Point	192 °C (lit.)
Purity	98% by CP; ≥98 atom %
Storage	−20°C