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Linagliptine Chloro Impurity
[CAS# 2138805-26-0]

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Identification
NameLinagliptine Chloro Impurity
Synonyms8-(3-Aminopiperidin-1-yl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
Molecular StructureCAS # 2138805-26-0, Linagliptine Chloro Impurity
Molecular FormulaC25H29ClN8O2
Molecular Weight509.00
CAS Registry Number2138805-26-0
SMILESCC1=NC(=NC2=CC=CC=C12)CN3C(=O)C4=C(N=C(N4C/C=C(/C)Cl)N5CCCC(C5)N)N(C3=O)C
Properties
Density1.5±0.1 g/cm3, Calc.*
Index of Refraction1.723, Calc.*
Boiling Point635.3±65.0 °C (760 mmHg), Calc.*
Flash Point338.0±34.3 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302-H315-H319-H335  Details
Safety StatementsP261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501  Details
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