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

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
• CAS No.: 134185-45-8
• Molecular Formula: C20H28ClN5O5
• Molecular Weight: 453.9198
• DSSTox Substance ID: DTXSID60928493

Synonyms:134185-45-8;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride;DTXSID60928493;LS-77623;1,4:3,6-Dianhydro-2-deoxy-2-{4-[3-(2H-indazol-2-yl)propyl]piperazin-1-yl}-5-O-nitrohexitol--hydrogen chloride (1/1)

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

Chemical Property:

• Vapor Pressure: 1.19E-14mmHg at 25°C
• Boiling Point: 606.4°Cat760mmHg
• Flash Point: 320.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 453.1778967
• Heavy Atom Count: 31
• Complexity: 599

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCN2C=C3C=CC=CC3=N2)C4COC5C4OCC5O[N+](=O)[O-].Cl
• Isomeric SMILES: C1CN(CCN1CCCN2C=C3C=CC=CC3=N2)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-].Cl

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