CAS 41945-48-6: Ethanesulfonic acid, 2-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, sodium salt (1:1)

Description: Ethanesulfonic acid, 2-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, sodium salt (1:1), commonly referred to as a sodium salt of a complex amino acid derivative, exhibits several notable characteristics. This compound features a steroid backbone, specifically derived from cholane, which contributes to its biological activity and solubility properties. The presence of multiple hydroxyl groups enhances its polarity, facilitating interactions with biological macromolecules. As a sodium salt, it is likely to be soluble in water, making it suitable for various biochemical applications. The compound may exhibit buffering capacity due to the sulfonic acid group, which can stabilize pH in biological systems. Additionally, its structural complexity suggests potential roles in drug formulation or as a biochemical probe. Overall, this compound's unique structure and properties make it of interest in pharmaceutical and biochemical research, particularly in studies involving steroid derivatives and their interactions in biological systems.

Formula: C₂₈H₄₈N₂O₈S·Na

InChI: InChI=1S/C28H48N2O8S.Na/c1-16(4-7-24(34)30-15-25(35)29-10-11-39(36,37)38)19-5-6-20-26-21(14-23(33)28(19,20)3)27(2)9-8-18(31)12-17(27)13-22(26)32;/h16-23,26,31-33H,4-15H2,1-3H3,(H,29,35)(H,30,34)(H,36,37,38);/t16-,17+,18-,19-,20+,21+,22-,23+,26+,27+,28-;/m1./s1

InChI key: InChIKey=WKHLLIRETSZJBP-QRPKJZHMSA-N

SMILES: [Na].O=C(NCCS(=O)(=O)O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Synonyms:

• 2-[[[[(3A,5B,7A,12A)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Amino]Acetyl]Amino]-Ethanesulfonic Acid Monosodium Salt
• Cholane, ethanesulfonic acid deriv.
• Ethanesulfonic Acid, 2-[[[[(3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Amino]Acetyl]Amino]-, Monosodium Salt
• Ethanesulfonic acid, 2-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, sodium salt (1:1)
• Ethanesulfonic acid, 2-[[[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, monosodium salt
• Sodium Glycotaurocholate
• Sodium Tauroglycocholate
• sodium 2-({N-[(3alpha,5beta,7alpha,8xi,9xi,12alpha,14xi)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate
• sodium N-(N-choloylglycyl)taurinateTauroglycocholic acid sodium salt

Sodium glycotaurocholate

CAS: 41945-48-6

• Formula: C₂₈H₄₇N₂NaO₈S
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 594.7362

Sodium tauroglycocholate

CAS: 41945-48-6

• Color and Shape: White to light-brown powder

Sodium tauroglycocholate

CAS: 41945-48-6

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• Formula: C₂₈H₄₈N₂O₈S•Na
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 595.75 g/mol