Analyte Name

7-(But-2-yn-1-yl)-8-[(2-hydroxyethyl)amino]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

CAS Number

2074688-84-7

Molecular Formula

C22 H23 N7 O3

Molecular Weight

433.463

Accurate Mass

433.186

SMILES

CC#CCn1c(NCCO)nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12

InChI

InChI=1S/C22H23N7O3/c1-4-5-11-28-18-19(26-21(28)23-10-12-30)27(3)22(32)29(20(18)31)13-17-24-14(2)15-8-6-7-9-16(15)25-17/h6-9,30H,10-13H2,1-3H3,(H,23,26)

IUPAC

7-but-2-ynyl-8-(2-hydroxyethylamino)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Product Type

Impurity

Product Format

Neat

API Family

Linagliptin