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[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)(CAS: 110221-44-8)

[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)
CAS Number

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Basic Information

Molecular Formula
C23H29ClN2O5S2
Molecular Weight
513.08 g/mol

Physical Properties

Melting Point
196-2000C (dec)

Chemical Identifiers

SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.Cl
InChIKey
XDDQNOKKZKHBIX-ASBZXGSUSA-N

Database References

MDL Number
MFCD00933433

FAQ

This compound is a hydrochloride salt with a crystalline form. Its molecular weight is approximately 522.75 g/mol. It has a low solubility in water but is soluble in organic solvents. The compound is reactive towards acids and bases. It exhibits good stability under normal storage conditions but requires protection from moisture and light.
This compound is typically synthesized via a multi-step procedure involving the reaction of a thiazepane derivative with a phenyl-substituted 2-butylamine. The synthesis involves the use of protecting groups and specific conditions to ensure high selectivity and yield. Commonly used solvents include dichloromethane and acetonitrile.
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It is also explored in the chemical sensor industry due to its specific reactivity and sensitivity towards certain analytes. Some research applications include its use in semiconductor research and as a precursor in polymer synthesis.
When handling this compound, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Store the compound in a dry, cool place away from direct sunlight. In case of spills, neutralize with an appropriate reagent and clean up according to standard safety protocols. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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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