1,4:3,6-Dianhydro-2-((3-(2-chlorophenoxy)propyl)amino)-2-deoxy-L-iditol 5-nitrate monohydrochloride
[CAS# 81785-45-7]

Identification

• Name: 1,4:3,6-Dianhydro-2-((3-(2-chlorophenoxy)propyl)amino)-2-deoxy-L-iditol 5-nitrate monohydrochloride
• Synonyms: Nitric Acid [(3S,3Ar,6S,6As)-3-[3-(2-Chlorophenoxy)Propylamino]-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester Hydrochloride; 5-(3-(2-Chlorphenoxy)-Propylamino)-5-Desoxy-1,4:3,6-Dianhydro-L-Idit-2-Nitrat Hcl [German]; L-Iditol, 1,4:3,6-Dianhydro-2-((3-(2-Chlorophenoxy)Propyl)Amino)-2-Deoxy-, 5-Nitrate, Monohydrochloride
• Molecular Formula: C₁₅H₂₀Cl₂N₂O₆
• Molecular Weight: 395.24
• CAS Registry Number: 81785-45-7
• SMILES: [C@H]23OC[C@H](NCCCOC1=C(Cl)C=CC=C1)[C@H]2OC[C@@H]3O[N+]([O-])=O.[H+].[Cl-]
• InChI: 1S/C15H19ClN2O6.ClH/c16-10-4-1-2-5-12(10)21-7-3-6-17-11-8-22-15-13(24-18(19)20)9-23-14(11)15;/h1-2,4-5,11,13-15,17H,3,6-9H2;1H/t11-,13-,14+,15+;/m0./s1
• InChIKey: PEEQYECXWJNGLG-REVGSIRBSA-N

Properties

• Boiling point: 513.9°C at 760 mmHg (Cal.)
• Flash point: 264.6°C (Cal.)