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sodium (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate(CAS: 7081-44-9)

sodium (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate
CAS Number

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Basic Information

Molecular Formula
C19H19ClN3NaO6S
Molecular Weight
475.9 g/mol

Physical Properties

Melting Point
180-200°C
Boiling Point
689℃
Flash Point
>110°(230°F)
Water Solubility
Soluble in water

Chemical Identifiers

SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]
InChIKey
KCUWTKOTPIUBRI-VICXVTCVSA-M

Database References

MDL Number
MFCD00150735

FAQ

Sodium (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (CAS: 7081-44-9) is a complex organic sodium salt containing a bicyclic heptane framework with thia and azaheteroatoms. Its structure includes a 2-chlorophenyl group, an oxazole ring, and carboxylate functionalities, making it a potential pharmaceutical intermediate. It is hygroscopic and typically appears as a solid with specific stereochemical configurations (2S,5R,6R).
This compound is primarily used as a pharmaceutical intermediate in the development of drugs targeting metabolic disorders. It may also serve in research for studying enzyme inhibition and antibiotic synthesis. Due to its complex structure, it is employed in chemical synthesis to create derivatives with potential therapeutic applications. Industrial uses are limited, but it is valued in laboratory settings for its reactivity and structural versatility.
Sodium (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (CAS: 7081-44-9) is generally safe when handled properly, but it requires caution due to its potential to cause skin and eye irritation. Safety protocols include wearing protective gear and ensuring adequate ventilation. It is not classified as highly toxic, but its handling should comply with standard chemical safety guidelines to minimize risks.
This compound should be stored in a cool, dry place (ideally below 25°C), in airtight containers to prevent moisture absorption. It is hygroscopic and sensitive to light, so storage in a dark, desiccated environment is recommended. Avoid exposure to heat and humidity to maintain stability. Keep in a well-ventilated area and label containers clearly for safe handling and long-term preservation.

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

Contact Person

Manager Huang

Email

yoyo@gzbr.com.cn