L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride
• CAS No.: 134213-49-3
• Molecular Formula: C16H21ClN4O7
• Molecular Weight: 416.8135
• DSSTox Substance ID: DTXSID40158599

Synonyms:134213-49-3;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride;DTXSID40158599;LS-77650

Chemical Property of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 416.1098767
• Heavy Atom Count: 28
• Complexity: 578

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C[N+](CCN1C(=O)C2=CN=CC=C2)(C3COC4C3OCC4O[N+](=O)[O-])[O-].Cl
• Isomeric SMILES: C1C[N+](CCN1C(=O)C2=CN=CC=C2)([C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-])[O-].Cl

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