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Sodium 17beta-Estradiol 3-Sulfate-[2,4,16,16-d4]

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General Information
Catalog: BLP-010802
CAS: 352431-50-6
Molecular Formula: C18H19D4NaO5S
Molecular Weight: 378.45

Chemical Structure

Description	Sodium 17beta-Estradiol 3-Sulfate-[2,4,16,16-d4] is the labelled analogue of Sodium 17beta-Estradiol 3-Sulfate, which is a derivative of Estradiol. Estradiol is the major estrogen secreted by the premenopausal ovary.
Synonyms	Estradiol Sulphate D4 sodium; Sodium 17beta-Estradiol-2,4,16,16-d4 3-Sulfate; Sodium 17beta-estradiol sulfate-d4; 17beta-Estradiol 3-O-Sulfate Sodium Salt-d4; beta-Estradiol 3-sulfate sodium salt-d4; 1,3,5(10)-Estratriene-3,17beta-diol 3-sulfate-d4
IUPAC Name	sodium;[(8R,9S,13S,14S,17S)-2,4,16,16-tetradeuterio-17-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
Related CAS	4999-79-5 (unlabelled) 481-96-9 (unlabelled free acid)
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C18H24O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i3D,7D2,10D;
InChI Key	LMJQCTISQYSLPF-LDBFCMRTSA-M
Purity	≥95%; ≥98% atom D
Solubility	Slightly soluble in DMSO, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C under inert atmosphere