Products for Research Use Only
RegisterLogin

Linagliptin Acetamide

CAT: 0572-TRC-L465920-25MGSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-L465920-25MGSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1803079-49-3
Synonyms
N-[(3R)-1-[7-(2-Butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]acetamide; (R)-N-(1-(7-(But-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)acetamide
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[C@H](C5)NC(=O)C
Molecular Formula
C27 H30 N8 O3
Molecular Weight
514.58
InChI
InChI=1S/C27H30N8O3/c1-5-6-14-34-23-24(31-26(34)33-13-9-10-19(15-33)29-18(3)36)32(4)27(38)35(25(23)37)16-22-28-17(2)20-11-7-8-12-21(20)30-22/h7-8,11-12,19H,9-10,13-16H2,1-4H3,(H,29,36)/t19-/m1/s1
Additionnal Information
IUPAC name: N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]acetamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Linagliptin Acetamide
CAS Number1803079-49-3
PubChem CID122189866
IUPAC NameN-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]acetamide
Molecular FormulaC27H30N8O3
Molecular Weight514.6
XLogP2.2
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity993
SMILES
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
InChI
InChI=1S/C27H30N8O3/c1-5-6-14-34-23-24(31-26(34)33-13-9-10-19(15-33)29-18(3)36)32(4)27(38)35(25(23)37)16-22-28-17(2)20-11-7-8-12-21(20)30-22/h7-8,11-12,19H,9-10,13-16H2,1-4H3,(H,29,36)/t19-/m1/s1
InChIKey
KWOITPIVEAFNPU-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Linagliptin Acetamide
CAS: 1803079-49-3
CID: 122189866
Formula: C27H30N8O3
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass514.24408685
Monoisotopic Mass514.24408685
Topological Polar Surface Area117 Ų
Heavy Atom Count38
Formal Charge0
Complexity993
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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-L465902-5MGLinagliptin-d3
TRC-L465895-25MG(S)-Linagliptin
TRC-R279913-50MGReverse Linagliptin

Alternative Products

CatalogName
RM-L140733-01Linagliptin Acetamide
CS-O-45658Linagliptin Acetamide-d3
T0191-01Linagliptin

Popular Products