CAS 16680-48-1

Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt

Description:

Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt, commonly referred to as a sulfonated steroid, is a synthetic compound derived from the steroid framework. This substance features a pentadiene structure, which contributes to its unique reactivity and biological activity. The presence of a sulfooxy group enhances its solubility in water, making it more bioavailable and facilitating its interaction with biological systems. As a sodium salt, it is typically more stable and easier to handle in various formulations. This compound is often studied for its potential applications in pharmaceuticals, particularly in hormone-related therapies, due to its structural similarity to natural steroid hormones. Its characteristics include a relatively high molecular weight and specific stereochemistry, which are crucial for its biological function. Additionally, the compound may exhibit specific pharmacokinetic properties, influencing its absorption, distribution, metabolism, and excretion in biological systems. Overall, Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt represents a significant area of interest in medicinal chemistry and endocrinology.

Formula: C₁₈H₁₈O₅S·Na

InChI: InChI=1S/C18H18O5S.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;/h2-5,10,16H,6-9H2,1H3,(H,20,21,22);/t16-,18-;/m0./s1

InChI key: InChIKey=DQIJAZCUWQSOEA-AKXYIILFSA-N

SMILES: C[C@@]12[C@](C=3C(=C4C(=CC3)C=C(OS(=O)(=O)O)C=C4)CC1)(CCC2=O)[H].[Na]

Synonyms:

• 1,3,5(10)-6,8-Estrapentaen-3-Ol-17-One 3-Sulfate Sodium
• Equilenin Sodium Sulfate
• Equilenin Sodium Sulphate
• Equilenin sulfate sodium salt
• Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt
• Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-, hydrogen sulfate, monosodium salt
• sodium [(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Equilenin Sulfate Sodium Salt

CAS: 16680-48-1

Formula: C₁₈H₁₇O₅S·Na

Color and Shape: Pink Solid

Molecular weight: 345.39 22.99

Ref: 4Z-E-313

Equilenin-d4 Sulfate Sodium Salt

CAS: 16680-48-1

Formula: C₁₈H₁₃D₄O₅S·Na

Molecular weight: 349.41 22.99

Ref: 4Z-E-3110

Equilenin Sulfate Sodium Salt (stabilized with TRIS, 50% w/w)

Controlled Product

CAS: 16680-48-1

Applications Equilenin Sulfate is the sulfate conjugate of the estrogenic steroidal hormone Equilenin (E592410). Equilenin Sulfate is an estrogenic metabolite of Equilin 3-Sulfate (E592820)17β-Dihydro Equilin 3-Sulfate (D448970) in normal postmenopausal women.
References Bhavnani, B.R. et al.: Soc. Gynecol. Invest., 9, 102 (2002); Bhavnani, B.R. et al.: J. Clin. Endocrinol. Metab., 77, 1269 (1993);

Formula: C₁₈H₁₇O₅S·Na

Color and Shape: Neat

Molecular weight: 368.379

Ref: TR-E592410

Equilenin Sodium Sulfate

CAS: 16680-48-1

Formula: C₁₈H₁₇O₅SNa

Molecular weight: 345.39 : 22.99

Ref: ST-EA-CP-E101001