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Sodium {[(3alpha,5beta,12alpha,20R)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate(CAS: 16409-34-0)

Sodium {[(3alpha,5beta,12alpha,20R)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate
CAS Number

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Basic Information

Molecular Formula
C26H42NNaO5
Molecular Weight
471.6 g/mol

Physical Properties

Melting Point
205.0 to 209.0 deg-C
Density
0.9330

Chemical Identifiers

SMILES
CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
InChIKey
VMSNAUAEKXEYGP-YEUHZSMFSA-M

Database References

MDL Number
MFCD00036742

FAQ

Sodium {[(3alpha,5beta,12alpha,20R)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate is a white crystalline solid with a high molecular weight. It has a low solubility in water but good solubility in organic solvents. The compound exhibits moderate reactivity towards bases and is stable under normal conditions. It is used in pharmaceutical applications requiring specific chemical reactivity.
Sodium {[(3alpha,5beta,12alpha,20R)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate can be synthesized through a multi-step process involving the conversion of a cholic acid derivative to the corresponding amino acetate. Commonly, this involves protecting group chemistry, followed by deprotection and amidation steps to achieve high yield and selectivity. The reaction is typically performed under mild conditions to avoid degradation of the target compound.
Sodium {[(3alpha,5beta,12alpha,20R)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate is primarily used in the pharmaceutical industry for the development of specific drug candidates. It is also relevant in the production of certain polymers and in the field of sensors for its unique chemical and biological properties.
When handling Sodium {[(3alpha,5beta,12alpha,20R)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. The compound should be stored in a cool, dry place away from heat sources. In case of spill, it should be cleaned up using appropriate spill response materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.

Safety Notice

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

Always follow proper handling procedures

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