N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)
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- structure.search.product.name N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)
- Product Code: TRC-D282015-10MG
- Brand: TRC
Product Overview
Product Code
TRC-D282015-10MG
Product Format
Neat
Molecular Formula
C25H29BrN8O2
Molecular Weight
553.45
Product Categories
Alternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)
Molecular Formula
C25H29BrN8O2
Molecular Weight
553.45
Accurate Mass
552.16
SMILES
O=C(N(C)C(N=C(N1C[C@H](N)CCC1)N2C/C=C(C)/Br)=C2C3=O)N3CC4=NC5=CC=CC=C5C(C)=N4
InChI
InChI=1S/C25H29BrN8O2/c1-15(26)10-12-33-21-22(30-24(33)32-11-6-7-17(27)13-32)31(3)25(36)34(23(21)35)14-20-28-16(2)18-8-4-5-9-19(18)29-20/h4-5,8-10,17H,6-7,11-14,27H2,1-3H3/b15-10+/t17-/m1/s1
IUPAC
(R,E)-8-(3-aminopiperidin-1-yl)-7-(3-bromobut-2-en-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
Alternate CAS Number
E-isomer: 1446263-39-3; Z-isomer: 1638744-06-5
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat