Exametazime

Base Information

• Chemical Name: Exametazime
• CAS No.: 105613-48-7
• Deprecated CAS: 100551-63-1,105660-48-8,106759-50-6
• Molecular Formula: C13H28 N4 O2
• Molecular Weight: 272.39
• UNII: G29272NCKL
• DSSTox Substance ID: DTXSID1057614
• NCI Thesaurus Code: C65608
• ChEMBL ID: CHEMBL1615781
• Mol file: 105613-48-7.mol

Synonyms:3,3'-((2,2,-dimethyl-1,3-propanediyl)diimino)bis-2-butanone dioxime, (R*,R*-(E,E))-;exametazime

Chemical Property of Exametazime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 128-130°
• Boiling Point: 433°Cat760mmHg
• PKA: 11.81±0.10(Predicted)
• Flash Point: 215.7°C
• PSA: 89.24000
• Density: 1.06g/cm³
• LogP: 2.45080
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 272.22122615
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

Hexametazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=NO)C)NCC(C)(C)CNC(C)C(=NO)C
• Isomeric SMILES: C[C@@H](NCC(CN[C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C
• Recent EU Clinical Trials: Multicenter, randomized, open-label, clinical study on the agreement of
• Uses: Diagnostic aid (regional cerebral perfusion imaging). Hexametazine is a chelating agent for Tc-99m radioisotope.