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Linagliptin Impurity 5
[CAS# 2253964-85-9]

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Identification
Name Linagliptin Impurity 5
Synonyms 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-[[(3S)-piperidin-3-yl]amino]purine-2,6-dione
Molecular Structure CAS # 2253964-85-9, Linagliptin Impurity 5, 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-[[(3S)-piperidin-3-yl]amino]purine-2,6-dione
Molecular Formula C25H28N8O2
Molecular Weight 472.54
CAS Registry Number 2253964-85-9
SMILES CC#CCN1C2=C(N=C1N[C@H]3CCCNC3)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
Properties
Density 1.4±0.1 g/cm3, Calc.*
Index of Refraction 1.714, Calc.*
Boiling Point 664.0±65.0 ºC (760 mmHg), Calc.*
Flash Point 355.4±34.3 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302+H312+H332-H315-H319    Details
Precautionary Statements P261-P271-P280-P302+P352-P305+P351+P338    Details
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