CID 9800065

Base Information

• Chemical Name: CID 9800065
• CAS No.: 81129-83-1
• Molecular Formula: C16H26N2O5S.Na
• Molecular Weight: 380.43
• European Community (EC) Number: 279-694-4
• NCI Thesaurus Code: C65329
• RXCUI: 82128
• Mol file: 81129-83-1.mol

Synonyms:Cilastatin;Cilastatin Monosodium Salt;Cilastatin Sodium;MK 0791;MK 791;MK-791;MK0791;MK791;Monosodium Salt, Cilastatin;Salt, Cilastatin Monosodium;Sodium, Cilastatin

Chemical Property of CID 9800065

Chemical Property:

• Appearance/Colour: A white colour powder
• Vapor Pressure: 7.13E-19mmHg at 25°C
• Boiling Point: 655.5 °C at 760 mmHg
• PKA: pKa1 2.0; pKa2 4.4; pKa3 9.2(at 25℃)
• Flash Point: 350.2 °C
• PSA: 157.85000
• LogP: 1.18910
• Storage Temp.: Desiccate at -20°C
• Solubility.: Very soluble in water and in methanol, slightly soluble in anhydrous ethanol, very slightly soluble in dimethyl sulfoxide, practically insoluble in acetone and in methylene chloride.
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 381.14601239
• Heavy Atom Count: 25
• Complexity: 519

Purity/Quality:

99% ^*data from raw suppliers

Cilastatin sodium ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C.[Na]
• Isomeric SMILES: CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)O)C.[Na]
• Description: Cilastatin Na (81129-83-1) is a dehydropeptidase-1 inhibitor. Inhibits the proteolytic conversion of leukotriene D4?to E4.1? Inhibits the mammalian β-lactamase renal dipeptidase (dehydropeptidase-1, DPEP1) and thus is used as an antibacterial adjunct to extend the half-life of β-lactam antibiotics.2?Cilastatin also inhibits bacterial metallo-β-lactamase and thereby may block resistance to the carbapenem family of antibiotics in certain bacteria.3? Suppresses invasion and metastasis of DPEP1-expressing tumor cells.4
• Uses: Cilastatin sodium is a dipeptidase inhibitor with nephroprotective effects.