Information card for entry 1507342

Structure parameters

• Chemical name: 6-dimethylaminopyridoxine hydrochloride
• Formula: C10 H17 Cl N2 O3
• Calculated formula: C10 H17 Cl N2 O3
• SMILES: [Cl-].Oc1c(nc([NH+](C)C)c(c1CO)CO)C
• Title of publication: Synthesis of a novel radical trapping and carbonyl group trapping anti-AGE agent: a pyridoxamine analogue for inhibiting advanced glycation (AGE) and lipoxidation (ALE) end products.
• Authors of publication: Culbertson, Sean M.; Enright, Gary D.; Ingold, K. U.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2659 - 2662
• a: 10.4039 ± 0.0007 Å
• b: 12.9429 ± 0.0008 Å
• c: 8.922 ± 0.0006 Å
• α: 90°
• β: 91.346 ± 0.01°
• γ: 90°
• Cell volume: 1201.08 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No