8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
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- structure.search.product.name 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
- Product Code: TRC-B680510
- CAS Number: 853029-57-9
- Brand: TRC
Product Overview
Product Code
TRC-B680510
CAS Number
Product Format
Neat
Molecular Formula
C20 H17 Br N6 O2
Molecular Weight
453.29
API Family
LinagliptinProduct Categories
Product Type
ImpurityPurity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
CAS Number
853029-57-9
Molecular Formula
C20 H17 Br N6 O2
Molecular Weight
453.29
Accurate Mass
452.0596
SMILES
CC#CCn1c(Br)nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12
InChI
InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3
IUPAC
8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
Purity
>95% (HPLC)