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

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(5,6-dimethyl-1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
• CAS No.: 134185-38-9
• Molecular Formula: C22H32ClN5O5
• Molecular Weight: 481.973
• DSSTox Substance ID: DTXSID70928489

Synonyms:134185-38-9;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(5,6-dimethyl-1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride;C22H31N5O5.xClH;DTXSID70928489;1,4:3,6-Dianhydro-2-deoxy-2-{4-[3-(5,6-dimethyl-1H-benzimidazol-1-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-(5,6-dimethyl-1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride

Chemical Property:

• Vapor Pressure: 1.41E-15mmHg at 25°C
• Boiling Point: 625.8°C at 760 mmHg
• Flash Point: 332.3°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 481.2091968
• Heavy Atom Count: 33
• Complexity: 657

Purity/Quality:

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• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N(C=N2)CCCN3CCN(CC3)C4COC5C4OCC5O[N+](=O)[O-].Cl
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C=N2)CCCN3CCN(CC3)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-].Cl

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