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Alogliptin

CAT: 0127-BUP08626-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08626-06Size:200 mg
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CAS Number
850649-61-5
Synonyms
SYR-322
Purity
=98%
Smiles
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O

Chemical Information

Alogliptin

Alogliptin is a piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. It has a role as a hypoglycemic agent and an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor. It is a nitrile, a member of piperidines, a member of pyrimidines and a primary amino compound. It is a conjugate base of an alogliptin(1+).

CAS Number850649-61-5
PubChem CID11450633
IUPAC Name2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
Molecular FormulaC18H21N5O2
Molecular Weight339.4
XLogP0.6
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity622
SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N
InChI
InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
InChIKey
ZSBOMTDTBDDKMP-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Alogliptin
CAS: 850649-61-5
CID: 11450633
Formula: C18H21N5O2
MW: 339.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight339.4
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass339.16952493
Monoisotopic Mass339.16952493
Topological Polar Surface Area93.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity622
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

Alternative Products

CatalogName
HY-A0023A-01Alogliptin
A3156-10Alogliptin Benzoate
001847Alogliptin-d3

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