Compound Q&A
What is 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)?
Answer
![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](https://static.chemtradehub.com/structs/708/7081-44-9-e2f4.webp "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")
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).
About
CAS No
7081-44-9
English Name
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
Molecular Formula
C19H19ClN3NaO6S
Molecular Weight
475.9 g/mol
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
Last Updated: 2025-08-25 01:08