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Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate(CAS: 863-57-0)

Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate
CAS Number

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Basic Information

Molecular Formula
C26H42NNaO6
Molecular Weight
487.6 g/mol

Physical Properties

Melting Point
210-215 °C (subl.)(lit.)
Boiling Point
692°C at 760 mmHg

Chemical Identifiers

SMILES
O=C([O-])CNC(CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)=O.[Na+]
InChIKey
OABYVIYXWMZFFJ-IPBWKMHYSA-M

Database References

MDL Number
MFCD00036741

FAQ

Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0) is a white crystalline solid with a molecular weight of approximately 734.93 g/mol. It has a solubility of about 3.5 g/L in water at 20°C and reacts readily with acids. This compound is slightly basic in nature and is stable under normal conditions but decomposes with heat and light. It is not flammable but care should be taken to avoid contact with strong oxidizers.
Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0) can be synthesized through the condensation of 3,7,12-trihydroxy-24-oxocholan-24-ylamine with sodium acetate. The reaction is catalyzed by a strong base such as sodium hydride, and the selectivity for the desired product is high. The yield typically ranges from 70-85%, depending on the purity of the starting materials and the efficiency of purification steps.
Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0) is primarily used in the pharmaceutical industry for the synthesis of various cholesterols and in the production of cholesterol inhibitors. It is also used in the polymer industry as a stabilizer and in the sensing technology for detecting cholesterol levels in medical applications.
When handling Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0), it is essential to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. The compound should be stored in a cool, dry place, away from heat and direct sunlight. In case of spillage, it is crucial to use appropriate containment and clean up with care to avoid exposure. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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