CID 5284365

Base Information

• Chemical Name: CID 5284365
• CAS No.: 54749-90-5
• Molecular Formula: C9H16 Cl N3 O7
• Molecular Weight: 313.73
• DSSTox Substance ID: DTXSID9020320
• Wikidata: Q76295194
• Metabolomics Workbench ID: 144275
• Mol file: 54749-90-5.mol

Synonyms:SCHEMBL8539;DTXSID9020320

Chemical Property of CID 5284365

Chemical Property:

• Melting Point: 147-148° (dec with the evolution of gas); mp 140-141° (dec)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 119.3°C (rough estimate)
• PKA: 9.08±0.46(Predicted)
• Density: 1.858g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 313.0676776
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

CHLOROZOTOCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O
• Isomeric SMILES: C(CCl)N(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O
• Uses: Chlorozotocin is a cytostatic agent that has been used to treat melanoma and multiple myeloma and cancer of the stomach, large intestine, pancreas, and lung (IARC 1990).