CAS 145-42-6: Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt
Description:Ethanesulfonic acid, specifically the compound with the name "2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt," is a sulfonic acid derivative that features a steroid backbone, characterized by its hydroxyl groups and a ketone functional group. This compound is typically a white to off-white solid and is soluble in water due to the presence of the sulfonate group, which enhances its ionic character. The presence of multiple hydroxyl groups contributes to its potential as a biological molecule, possibly influencing its interaction with biological systems. As a monosodium salt, it exhibits properties typical of salts, including ionic conductivity in solution. This compound may be of interest in biochemical applications, particularly in studies involving steroid hormones or as a potential pharmaceutical agent. Its specific interactions and applications would depend on its structural characteristics and the functional groups present, which can influence its reactivity and solubility in various environments.
Formula:C26H45NO7S·Na
InChI:InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
InChI key:InChIKey=LHLYEKPSOJJBMK-IZYKLYLVSA-N
SMILES:[Na].O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
- Synonyms:
- Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)
- Monosodium taurocholate
- N-Choloyltaurinate de sodium
- N-coloiltaurinato de sodio
- Natrium-N-choloyltaurinat
- Sodium Taurocholate
- Taurine, N-choloyl-, monosodium salt
- Taurocholate sodium
- Taurocholic acid monosodium salt
- Taurocholic acid sodium salt
- See more synonyms
- sodium N-choloyltaurinate
- Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt
- sodium 2-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate
- sodium 2-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonate
- sodium 2-{[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate