Product Code
TRC-L465945
Product Format
Neat
Molecular Formula
C51 H56 N16 O4
Molecular Weight
957.095
API Family
LinagliptinProduct Categories
Alternate CAS Number
Purity
>95% (HPLC)
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Analyte Name
Linagliptin Methyl Dimer
Molecular Formula
C51 H56 N16 O4
Molecular Weight
957.095
Accurate Mass
956.467
SMILES
CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(CCN[C@@H]4CCCN(C4)c5nc6N(C)C(=O)N(Cc7nc(C)c8ccccc8n7)C(=O)c6n5CC#CC)c9ccccc9n3)C(=O)c12)N%10CCC[C@@H](N)C%10
InChI
InChI=1S/C51H56N16O4/c1-6-8-26-64-42-44(58-48(64)62-24-14-16-33(52)28-62)60(4)51(71)67(47(42)69)31-41-56-38-21-13-11-19-36(38)39(57-41)22-23-53-34-17-15-25-63(29-34)49-59-45-43(65(49)27-9-7-2)46(68)66(50(70)61(45)5)30-40-54-32(3)35-18-10-12-20-37(35)55-40/h10-13,18-21,33-34,53H,14-17,22-31,52H2,1-5H3/t33-,34-/m1/s1
IUPAC
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[[4-[2-[[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]amino]ethyl]quinazolin-2-yl]methyl]-3-methylpurine-2,6-dione
Alternate CAS Number
668270-12-0
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
Purity
>95% (HPLC)
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