Products for Research Use Only
RegisterLogin

Alogliptin Impurity B

CAT: 1299-RM-A120702-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-A120702-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1268836-55-0
Synonyms
(R) -2- ((6- (3- ((3- (2-cyanobenzyl) -1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl) amino) piperidin-1-yl) -3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1 (2H) -yl) methyl) benzonitrile
Molecular Formula
C31H30N8O4
Molecular Weight
578.62
Target Alternative Name
Alogliptin
Product Name Synonym
(R) -2- ((6- (3- ((3- (2-cyanobenzyl) -1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl) amino) piperidin-1-yl) -3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1 (2H) -yl) methyl) benzonitrile

Chemical Information

(R)-2-((6-(3-((3-(2-cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)piperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
CAS Number1268836-55-0
PubChem CID78358384
IUPAC Name2-[[6-[[(3R)-1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]amino]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
Molecular FormulaC31H30N8O4
Molecular Weight578.6
XLogP2.1
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1310
SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N[C@@H]3CCCN(C3)C4=CC(=O)N(C(=O)N4CC5=CC=CC=C5C#N)C
InChI
InChI=1S/C31H30N8O4/c1-35-28(40)14-26(38(30(35)42)18-23-10-5-3-8-21(23)16-32)34-25-12-7-13-37(20-25)27-15-29(41)36(2)31(43)39(27)19-24-11-6-4-9-22(24)17-33/h3-6,8-11,14-15,25,34H,7,12-13,18-20H2,1-2H3/t25-/m1/s1
InChIKey
JHBZCPZIKAFEEU-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((6-(3-((3-(2-cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)piperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
CAS: 1268836-55-0
CID: 78358384
Formula: C31H30N8O4
MW: 578.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.6
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass578.23900147
Monoisotopic Mass578.23900147
Topological Polar Surface Area144 Ų
Heavy Atom Count43
Formal Charge0
Complexity1310
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
RM-A120701-01Alogliptin Impurity A
RM-A120713-01Alogliptin Impurity M
RM-A120704-01Alogliptin Impurity D
RM-A120703-01Alogliptin Impurity C
RM-A120779-01Alogliptin Impurity 79
RM-A120760-01Alogliptin Impurity 60
RM-A120759-01Alogliptin Impurity 59
RM-A120758-01Alogliptin Impurity 58
RM-A120719-01Alogliptin Impurity 19
RM-A120722-01Alogliptin Impurity 22

Alternative Products

CatalogName
AR-A04785-01Alogliptin Impurity A
AR-A04629-01Alogliptin Impurity
AR-A04675-01Alogliptin Impurity F
AR-A04674-01Alogliptin Impurity E
AR-A01748-01Alogliptin Impurity 10
AR-A05994-01Alogliptin Impurity 25
AR-A05992-01Alogliptin Impurity 21
AR-A06023-01Alogliptin Impurity 42
AR-A06003-01Alogliptin Impurity 37
AR-A05997-01Alogliptin Impurity 28

Popular Products