L-Iditol, 1,4:3,6-dianhydro-2-(4-((6-chloro-3-pyridinyl)carbonyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-(4-((6-chloro-3-pyridinyl)carbonyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
• CAS No.: 134186-11-1
• Molecular Formula: C16H20Cl2N4O6
• Molecular Weight: 435.2592
• DSSTox Substance ID: DTXSID30928501
• Mol file: 134186-11-1.mol

Synonyms:134186-11-1;L-Iditol, 1,4:3,6-dianhydro-2-(4-((6-chloro-3-pyridinyl)carbonyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride;C16H19ClN4O6.xClH;DTXSID30928501;C16-H19-Cl-N4-O6.x-Cl-H;LS-77600;1,4:3,6-Dianhydro-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)

Chemical Property of L-Iditol, 1,4:3,6-dianhydro-2-(4-((6-chloro-3-pyridinyl)carbonyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride

Chemical Property:

• Vapor Pressure: 1.07E-13mmHg at 25°C
• Boiling Point: 585.6°C at 760 mmHg
• Flash Point: 307.9°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 434.0759898
• Heavy Atom Count: 28
• Complexity: 570

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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