Alogliptin Impurity 47

CAT: 1596-AR-A06009-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06009-06Size:250 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1883825-48-6

Molecular Formula

C15H15N3O3

Molecular Weight

285.30

API Name

Alogliptin

Chemical Information

2-[(6-Ethoxy-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile

CAS Number	1883825-48-6
PubChem CID	169440038
IUPAC Name	2-[(6-ethoxy-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
Molecular Formula	C15H15N3O3
Molecular Weight	285.30
XLogP	1.2
Topological Polar Surface Area	73.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	506

SMILES

CCOC1=CC(=O)N(C(=O)N1CC2=CC=CC=C2C#N)C

InChI

InChI=1S/C15H15N3O3/c1-3-21-14-8-13(19)17(2)15(20)18(14)10-12-7-5-4-6-11(12)9-16/h4-8H,3,10H2,1-2H3

InChIKey

DLQKLBZFCYJULD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1883825-48-6

CID: 169440038

Formula: C15H15N3O3

MW: 285.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.30
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	285.11134135
Monoisotopic Mass	285.11134135
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes