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

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(4-pyridinylthio)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
• CAS No.: 134185-27-6
• Molecular Formula: C18H27ClN4O5S
• Molecular Weight: 446.9488
• DSSTox Substance ID: DTXSID10158586

Synonyms:134185-27-6;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(4-pyridinylthio)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride;C18H26N4O5S.xClH;DTXSID10158586;C18-H26-N4-O5-S.x-Cl-H;LS-77651

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

Chemical Property:

• Vapor Pressure: 3.22E-13mmHg at 25°C
• Boiling Point: 574.9°Cat760mmHg
• Flash Point: 301.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 446.1390688
• Heavy Atom Count: 29
• Complexity: 511

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCSC2=CC=NC=C2)C3COC4C3OCC4O[N+](=O)[O-].Cl
• Isomeric SMILES: C1CN(CCN1CCCSC2=CC=NC=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-].Cl

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