Products for Research Use Only
RegisterLogin

Linagliptin Methyldimer (>85%)

CAT: 0572-TRC-L465910-1MGSize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-L465910-1MGSize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1418133-47-7
Synonyms
8-[(3R)-3-Amino-1-piperidinyl]-1-[[4-[[2-[[8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-1-yl]methyl]-1,4-dihydro-4-methyl-4-quinazolinyl]methyl]-2-quinazolinyl]methyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione; 8-((R)-3-Aminopiperidin-1-yl)-1-((4-((2-((8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl)-4-methyl-1,4-dihydroquinazolin-4-yl)methyl)quinazolin-2-yl)methyl)-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione; Linagliptin Dimer Impurity
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
c1cc2c(cc1)C(O)=C(C(=O)N2)C3=NS(=O)(=O)c4c(cccc4)N3
Molecular Formula
C50H56N16O4
Molecular Weight
945.08
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Linagliptin Methyldimer
CAS Number1418133-47-7
PubChem CID71487629
IUPAC Name8-[(3R)-3-aminopiperidin-1-yl]-1-[[4-[[2-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]quinazolin-4-yl]methyl]-4-methyl-1H-quinazolin-2-yl]methyl]-7-but-2-ynyl-3-methylpurine-2,6-dione
Molecular FormulaC50H56N16O4
Molecular Weight945.1
XLogP2.7
Topological Polar Surface Area226
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count70
Formal Charge0
Complexity2190
SMILES
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC(C5=CC=CC=C5N4)(C)CC6=NC(=NC7=CC=CC=C76)CN8C(=O)C9=C(N=C(N9CC#CC)N1CCC[C@H](C1)N)N(C8=O)C)C
InChI
InChI=1S/C50H56N16O4/c1-6-8-24-63-40-42(56-46(63)61-22-14-16-31(51)27-61)59(4)48(69)65(44(40)67)29-38-53-35-20-12-10-18-33(35)37(55-38)26-50(3)34-19-11-13-21-36(34)54-39(58-50)30-66-45(68)41-43(60(5)49(66)70)57-47(64(41)25-9-7-2)62-23-15-17-32(52)28-62/h10-13,18-21,31-32H,14-17,22-30,51-52H2,1-5H3,(H,54,58)/t31-,32-,50?/m1/s1
InChIKey
CEWRYIAJQLCIAT-BZDWUGKRSA-N
Chemical Structure
2D Structure
2D structure of Linagliptin Methyldimer
CAS: 1418133-47-7
CID: 71487629
Formula: C50H56N16O4
MW: 945.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight945.1
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass944.46704433
Monoisotopic Mass944.46704433
Topological Polar Surface Area226 Ų
Heavy Atom Count70
Formal Charge0
Complexity2190
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-L465912-25MGLinagliptin Methyldimer-d6
TRC-L465900-500MGLinagliptin
TRC-L465900-100MGLinagliptin
TRC-L465900-10MGLinagliptin
TRC-L465902-1MGLinagliptin-d3
TRC-L465895-100MG(S)-Linagliptin
TRC-L465902-10MGLinagliptin-d3
TRC-L465895-10MG(S)-Linagliptin
TRC-L465920-25MGLinagliptin Acetamide
TRC-L465902-5MGLinagliptin-d3

Alternative Products

CatalogName
T67852-01Linagliptin Methyldimer
sc-495657Linagliptin methyldimer-d6
RM-L140720-01Linagliptin Impurity T (Linagliptin Methyldimer)
RM-L140765-01Linagliptin Impurity 85
T0191-01Linagliptin

Popular Products