5-(4-Benzoylpiperazin-1-yl)-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate hydrochloride

Base Information

• Chemical Name: 5-(4-Benzoylpiperazin-1-yl)-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate hydrochloride
• CAS No.: 134186-08-6
• Molecular Formula: C17H22ClN3O6
• Molecular Weight: 399.8261
• DSSTox Substance ID: DTXSID70928500
• Mol file: 134186-08-6.mol

Synonyms:5-(4-Benzoylpiperazin-1-yl)-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate hydrochloride;1,4:3,6-Dianhydro-2-(4-benzoyl-1-piperazinyl)-2-deoxy-L-iditol 5-nitrate hydrochloride;L-Iditol, 1,4:3,6-dianhydro-2-(4-benzoyl-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride;134186-08-6;C17H21N3O6.xClH;DTXSID70928500;C17-H21-N3-O6.x-Cl-H;LS-77594;1,4:3,6-Dianhydro-2-(4-benzoylpiperazin-1-yl)-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)

Chemical Property of 5-(4-Benzoylpiperazin-1-yl)-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate hydrochloride

Chemical Property:

• Vapor Pressure: 2.42E-11mmHg at 25°C
• Boiling Point: 530.6°C at 760 mmHg
• Flash Point: 274.7°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 399.1197131
• Heavy Atom Count: 27
• Complexity: 527

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2COC3C2OCC3O[N+](=O)[O-])C(=O)C4=CC=CC=C4.Cl
• Isomeric SMILES: C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CC=CC=C4.Cl