L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-(1H-benzimidazol-2-yl)ethyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-(1H-benzimidazol-2-yl)ethyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
• CAS No.: 134185-71-0
• Molecular Formula: C19H26ClN5O5
• Molecular Weight: 439.8932
• DSSTox Substance ID: DTXSID20928494

Synonyms:134185-71-0;L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-(1H-benzimidazol-2-yl)ethyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride;C19H25N5O5.xClH;DTXSID20928494;C19-H25-N5-O5.x-Cl-H;LS-77590;1,4:3,6-Dianhydro-2-{4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl}-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)

Chemical Property of L-Iditol, 1,4:3,6-dianhydro-2-(4-(2-(1H-benzimidazol-2-yl)ethyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride

Chemical Property:

• Vapor Pressure: 2.73E-16mmHg at 25°C
• Boiling Point: 640.3°Cat760mmHg
• Flash Point: 341°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 439.1622466
• Heavy Atom Count: 30
• Complexity: 584

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCC2=NC3=CC=CC=C3N2)C4COC5C4OCC5O[N+](=O)[O-].Cl
• Isomeric SMILES: C1CN(CCN1CCC2=NC3=CC=CC=C3N2)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-].Cl

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