2-((3-(4-Acetaminophenoxy)Propyl)Amino)-1,4:3,6-Dianhydro-2-Deoxy-L-Iditol 5-Nitrate Hydrochloride Hydrate
[CAS# 81785-52-6]

Identification

• Name: 2-((3-(4-Acetaminophenoxy)Propyl)Amino)-1,4:3,6-Dianhydro-2-Deoxy-L-Iditol 5-Nitrate Hydrochloride Hydrate
• Synonyms: Nitric Acid [(3S,3Ar,6S,6As)-3-[3-(4-Acetamidophenoxy)Propylamino]-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester Hydrochloride; 2-((3-(4-Acetaminophenoxy)Propyl)Amino)-1,4:3,6-Dianhydro-2-Deoxy-L-Iditol 5-Nitrate Hcl H2o; L-Iditol, 2-((3-(4-(Acetylamino)Phenoxy)Propyl)Amino)-1,4:3,6-Dianhydro-2-Deoxy-, 5-Nitrate, Hydrochloride, Hydrate (2:2:1)
• Molecular Formula: C₁₇H₂₄ClN₃O₇
• Molecular Weight: 417.85
• CAS Registry Number: 81785-52-6
• SMILES: [C@H]23OC[C@H](NCCCOC1=CC=C(NC(=O)C)C=C1)[C@H]2OC[C@@H]3O[N+]([O-])=O.[H+].[Cl-]
• InChI: 1S/C17H23N3O7.ClH/c1-11(21)19-12-3-5-13(6-4-12)24-8-2-7-18-14-9-25-17-15(27-20(22)23)10-26-16(14)17;/h3-6,14-18H,2,7-10H2,1H3,(H,19,21);1H/t14-,15-,16+,17+;/m0./s1
• InChIKey: MTHNQKKUQMIRLB-LOPIXSETSA-N

Properties

• Boiling point: 627.3°C at 760 mmHg (Cal.)
• Flash point: 333.2°C (Cal.)