CAS 117997-17-8: Ethanesulfonic acid, 2-[[(3α,5β,6α,7α)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt

Description: Ethanesulfonic acid, 2-[[(3α,5β,6α,7α)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt, commonly referred to as a sodium salt of a steroid derivative, exhibits several notable characteristics. This compound features a steroid backbone, which contributes to its biological activity and solubility properties. The presence of multiple hydroxyl groups enhances its polarity, making it more soluble in aqueous environments. The ethane sulfonic acid moiety introduces a sulfonic acid functional group, which is known for its strong acidic properties and ability to form stable salts. As a monosodium salt, it is likely to be more soluble in water compared to its free acid form. This compound may have applications in biochemistry and pharmacology, particularly in studies involving steroid hormones or as a potential therapeutic agent. Its structural complexity suggests that it may interact with biological systems in specific ways, potentially influencing metabolic pathways or cellular functions. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₂₆H₄₅NO₇S·Na

InChI: InChI=1S/C26H45NO7S.Na/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31;/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34);/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-;/m1./s1

InChI key: InChIKey=WXQBDDRIZHQRRK-YOAOXILXSA-N

SMILES: [Na].O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C

Synonyms:

• Cholane, ethanesulfonic acid deriv.
• Sodium taurohyocholate
• Ethanesulfonic acid, 2-[[(3α,5β,6α,7α)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt

Taurohyocholic Acid Sodium Salt

CAS: 117997-17-8

• Formula: C₂₆H₄₄NO₇S·Na
• Molecular weight: 514.71 22.99

Taurohyocholic Acid sodium

CAS: 117997-17-8

Taurohyocholic acid (THCA), a taurine-conjugated form of porcine-specific primary bile acid hyocholic acid, inhibits cholesterol …

• Formula: C₂₆H₄₄NO₇SNa
• Color and Shape: Liquid
• Molecular weight: 537.69