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Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate(CAS: 191671-46-2)

Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate
CAS Number

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Basic Information

Molecular Formula
C20H29N4NaO9S2
Molecular Weight
556.6 g/mol

Chemical Identifiers

SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)[O-].[Na+]
InChIKey
JJGWLCLUQNFDIS-GTSONSFRSA-M

Database References

MDL Number
MFCD00078534

FAQ

Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2) is a crystalline compound with a molecular weight of approximately 780 g/mol. It has a high solubility in water and organic solvents. The compound exhibits moderate reactivity in acidic and basic conditions. It is stable under normal storage conditions but should be protected from moisture and light.
Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2) is synthesized through a multi-step process involving the condensation of a pentanoic acid derivative with a thienoimidazole derivative, followed by sulfonation, and finally, the introduction of the 2,5-dioxo-1-(hexanoyl)oxy group. The reaction typically requires the use of organic solvents and mild heating. The overall yield is around 75%.
Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2) is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also finds applications in the production of certain polymer additives and as a component in some sensor and semiconductor technologies.
When handling Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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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