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

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(1H-imidazol-1-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
• CAS No.: 134185-36-7
• Molecular Formula: C16H25 N5 O5 . x Cl H
• Molecular Weight: 403.8611
• DSSTox Substance ID: DTXSID50928487
• Mol file: 134185-36-7.mol

Synonyms:134185-36-7;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(1H-imidazol-1-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride;C16H25N5O5.xClH;DTXSID50928487;C16-H25-N5-O5.x-Cl-H;LS-77622;1,4:3,6-Dianhydro-2-deoxy-2-{4-[3-(1H-imidazol-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-(1H-imidazol-1-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride

Chemical Property:

• Vapor Pressure: 5.16E-13mmHg at 25°C
• Boiling Point: 570.2°C at 760 mmHg
• Flash Point: 298.6°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 403.1622466
• Heavy Atom Count: 27
• Complexity: 484

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCN2C=CN=C2)C3COC4C3OCC4O[N+](=O)[O-].Cl
• Isomeric SMILES: C1CN(CCN1CCCN2C=CN=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-].Cl