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CAS 207737-97-1

:

sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate

Description:
Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate, with CAS number 207737-97-1, is a chemical compound characterized by its amphiphilic nature, which is derived from its steroid backbone and sulfonate group. This compound features a cholane structure, indicating it is related to bile acids, and possesses hydroxyl groups that enhance its solubility in aqueous environments. The presence of the sulfonate group contributes to its ionic properties, making it a suitable candidate for applications in biochemistry and pharmaceuticals, particularly as a surfactant or emulsifying agent. The hydrate form indicates that it contains water molecules in its crystalline structure, which can influence its stability and solubility. Overall, this compound is of interest in various fields, including drug formulation and biochemical research, due to its unique structural characteristics and functional properties.
Formula:C26H46NNaO7S
InChI:InChI=1/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1
InChI key:OLPIZAYYAVQETM-GGPRKOIFSA-M
SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.O.[Na+]
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