5-Deoxy-5-(4-(pyridin-3-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl

Base Information

• Chemical Name: 5-Deoxy-5-(4-(pyridin-3-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl
• CAS No.: 134186-04-2
• Molecular Formula: C16H21ClN4O6
• Molecular Weight: 400.8141
• DSSTox Substance ID: DTXSID00928497

Synonyms:5-Deoxy-5-(4-(pyridin-3-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl;134186-04-2;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride;C16H20N4O6.xClH;DTXSID00928497;LS-77649;1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]hexitol--hydrogen chloride (1/1)

Chemical Property of 5-Deoxy-5-(4-(pyridin-3-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl

Chemical Property:

• Vapor Pressure: 3.41E-12mmHg at 25°C
• Boiling Point: 551.1°C at 760 mmHg
• Flash Point: 287.1°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 400.1149621
• Heavy Atom Count: 27
• Complexity: 535

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2COC3C2OCC3O[N+](=O)[O-])C(=O)C4=CN=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=CN=CC=C4.Cl

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