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Record 121 |
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Structure |
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Name |
Saxagliptin hydrate |
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Chemical_name |
(1S,5S)-2-((S)-2-amino-2-((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride |
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Cas |
945667-22-1 |
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Mdlnum |
MFCD26131254 |
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Smi |
O=C([C@H]([C@@](C[C@](C1)([H])C2)(C[C@@]1([H])C3)C[C@@]23O)N)N(C(C#N)C4)[C@]5([H])[C@@]4([H])C5.Cl |
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Formula |
C18H26ClN3O2 |
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Molweight |
351.875 |
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Purity |
98% |
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Appear |
off-whtie powder |
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Bp |
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Fp |
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Test method |
NMR,FT-IR, LCMS, HPLC,GC |
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Storage |
Store at room temperature |
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Leadtime |
Stock |
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Elemental_analysis |
C, 61.44; H, 7.45; Cl, 10.07; N, 11.94; O, 9.09 |
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Exact_mass |
351.171 |
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M_z |
351.17 (100.0%), 353.17 (32.0%), 352.17 (19.5%), 354.17 (6.2%), 353.18 (1.8%), 352.17 (1.1%) |
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Pka |
None |
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Sum_of_degrees |
54 |
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Warnings |
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Ridadr |
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Hazard codes |
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