1,4:3,6-Dianhydro-2-deoxy-2-((2-hydroxy-3-(3-methylphenoxy)propyl)amino)-L-iditol 5-nitrate monohydrochloride
[CAS# 81785-29-7]

Identification

• Name: 1,4:3,6-Dianhydro-2-deoxy-2-((2-hydroxy-3-(3-methylphenoxy)propyl)amino)-L-iditol 5-nitrate monohydrochloride
• Synonyms: Nitric Acid [(3S,3Ar,6S,6As)-3-[[2-Hydroxy-3-(3-Methylphenoxy)Propyl]Amino]-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester Hydrochloride; 5-(2-Hydroxy-3-(3-Tolyloxy)-Propylamino)-5-Desoxy-1,4:3,6-Dianhydro-L-Idit-2-Nitrat Hcl; L-Iditol, 1,4:3,6-Dianhydro-2-Deoxy-2-((2-Hydroxy-3-(3-Methylphenoxy)Propyl)Amino)-, 5-Nitrate, Monohydrochloride
• Molecular Formula: C₁₆H₂₃ClN₂O₇
• Molecular Weight: 390.82
• CAS Registry Number: 81785-29-7
• SMILES: [C@H]12OC[C@H](O[N+]([O-])=O)[C@H]1OC[C@@H]2NCC(O)COC3=CC=CC(=C3)C.[H+].[Cl-]
• InChI: 1S/C16H22N2O7.ClH/c1-10-3-2-4-12(5-10)22-7-11(19)6-17-13-8-23-16-14(25-18(20)21)9-24-15(13)16;/h2-5,11,13-17,19H,6-9H2,1H3;1H/t11?,13-,14-,15+,16+;/m0./s1
• InChIKey: VNCJYQBWDYGPAO-JFJXRNIZSA-N

Properties

• Boiling point: 554.7°C at 760 mmHg (Cal.)
• Flash point: 289.3°C (Cal.)