ABC00863HO

Linagliptin impurity S

Linagliptin impurity S is a brominated synthetic byproduct arising from the alkylation step during linagliptin synthesis. It features a 4-bromophenyl substituent on the piperazine ring, replacing the native 4-fluorophenyl moiety of the parent drug. This structural modification introduces a bromine atom at the para-position of the aromatic ring, altering electronic and steric properties while retaining the core pyrazine-pyrimidine scaffold. The compound serves as a critical HPLC reference standard for quantifying this specific process-related impurity in linagliptin active pharmaceutical ingredients.

On Request
Molecular Formula C25H29BrN8O2
Molecular Weight 553.5000
CAS Number 1638744-06-5 โœ“ Verified
Purity N/A
Product Type API Impurity
Parent Drug Linagliptin
Lead Time On Request
IUPAC Name 8-[(3R)-3-aminopiperidin-1-yl]-7-[(Z)-3-bromobut-2-enyl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
Official Reference Standards
Std Catalog # Quantity Price
USP 1366525 โ†— 15 mg USD 1075.00

๐Ÿ“ Synonyms

1638744-06-5 Bromobutane Linagliptin RefChem:570326 886-454-8 Linagliptin impurity K Linagliptin impurity S N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (R,Z)-8-(3-Aminopiperidin-1-yl)-7-(3-bromobut-2-en-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione (Linagliptin Impurity) C25H29BrN8O2 AT9P8ZQT6X

๐Ÿ”ฌ Chemical Identifiers

CC1=NC(=NC2=CC=CC=C12)CN3C(=O)C4=C(N=C(N4C/C=C(/C)\Br)N5CCC[C@H](C5)N)N(C3=O)C
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
KOVUTSTYXMWMHQ-XBNGYDHASA-N

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