N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)

• Synonyms:

  8-[(3R)-3-Amino-1-piperidinyl]-7-[(2E/Z)-3-bromo-2-buten-1-yl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione; Linagliptin Impurity S

• Hazard Statement:

  Causes skin irritation

• Purity:

  >95% (HPLC)

• 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

• Molecular Formula:

  C25H29BrN8O2

• Molecular Weight:

  553.45

• 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

• Additionnal Information:

  IUPAC name: (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

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C