Products for Research Use Only
RegisterLogin

Alogliptin-13Cd3

CAT: 0572-TRC-A283968-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A283968-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1246817-18-4
Hazard Statement
No Data Available
Smiles
N[C@@H]1CCCN(C2=CC(N(C(N2CC3=CC=CC=C3C#N)=O)[13C]([2H])([2H])[2H])=O)C1
Molecular Formula
C17 13C H18 D3 N5 O2
Molecular Weight
343.41

Chemical Information

Alogliptin-13Cd3
CAS Number1246817-18-4
PubChem CID129009613
IUPAC Name2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuterio(113C)methyl)pyrimidin-1-yl]methyl]benzonitrile
Molecular FormulaC18H21N5O2
Molecular Weight343.40
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
[2H][13C]([2H])([2H])N1C(=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/i1+1D3
InChIKey
ZSBOMTDTBDDKMP-GKOPAMJVSA-N
Chemical Structure
2D Structure
2D structure of Alogliptin-13Cd3
CAS: 1246817-18-4
CID: 129009613
Formula: C18H21N5O2
MW: 343.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.40
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass343.19171000
Monoisotopic Mass343.19171000
Topological Polar Surface Area93.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity622
Isotope Atom Count4
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-A575425-10MGAlogliptin
TRC-A575425-5MGAlogliptin
TRC-A575425-100MGAlogliptin
TRC-A575440-100MGAlogliptin Benzoate
TRC-A575440-10MGAlogliptin Benzoate
TRC-A575427-25MGAlogliptin-d3
TRC-A575427-2.5MGAlogliptin-d3
TRC-A575440-250MGAlogliptin Benzoate
TRC-D297155-250MG6-Despiperidinyl-6-(alogliptin-Namino-yl) Alogliptin
TRC-D297155-100MG6-Despiperidinyl-6-(alogliptin-Namino-yl) Alogliptin

Alternative Products

CatalogName
RM-A120727-01Alogliptin 13Cd3
MBS5766027Alogliptin (13CD3)
CS-O-46919Tiopronin 13CD3 (Methyl-13CD3)
HY-A0023A-01Alogliptin

Popular Products