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(2S,5R,6R)-6-{[(2R)-2-Amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate(CAS: 7177-48-2)

(2S,5R,6R)-6-{[(2R)-2-Amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
CAS Number

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Basic Information

Molecular Formula
C16H25N3O7S
Molecular Weight
403.46 g/mol
Physical State
Powder

Physical Properties

Melting Point
202°C(dec.)(lit.)
Boiling Point
683.9°C at N/A mmHg
Density
0.9800
Flash Point
87 °C
Water Solubility
0.1-1 g/100 mL at 21 ºC

Chemical Identifiers

SMILES
O=C(O)[C@H](N1C2=O)C(C)(S[C@@]1([C@@H]2NC([C@@H](C3=CC=CC=C3)N)=O)[H])C.[H]O[H].[H]O[H].[H]O[H]
InChIKey
RXDALBZNGVATNY-CWLIKTDRSA-N

Database References

MDL Number
MFCD00072036

FAQ

This compound, with the CAS number 7177-48-2, is a complex organic molecule containing multiple functional groups, including an amino group, a carboxylic acid group, and a thia-bicyclic ring system. It is a trihydrate form, meaning it contains three water molecules per molecule of the compound. The structure suggests potential pharmaceutical relevance due to its nitrogen and sulfur-containing rings, which are often associated with bioactive compounds.
This compound is primarily of interest in pharmaceutical research, particularly in the development of antibiotics and other antimicrobial agents. Its complex structure may contribute to biological activity, making it a candidate for drug discovery. It is also used in organic synthesis as a building block for more complex molecules.
Safety data for this compound is limited, but as with many complex organic chemicals, it should be handled with care. Precautions include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. It is recommended to follow standard laboratory safety protocols when working with this compound due to its potential for irritation or toxicity.
This compound should be stored in a cool, dry place, away from light and moisture. It is typically kept in a sealed container to maintain stability and prevent degradation. For optimal storage, it is recommended to keep it at a temperature below 25°C and ensure humidity levels are controlled to avoid any chemical changes.

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

Liu

Email

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