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Dipyridamole EP Impurity D

CAT: 1299-RM-D161804-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D161804-01Size:10 mg
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CAS Number
1176886-12-6
Synonyms
2,2'- ((6- ((2-hydroxyethyl) amino) -4,8-di (piperidin-1-yl) pyrimido[5,4-d]pyrimidin-2-yl) azanediyl) bis (ethan-1-ol)
Molecular Formula
C22H36N8O3
Molecular Weight
460.58
Target Alternative Name
Dipyridamole
Product Name Synonym
2,2'- ((6- ((2-hydroxyethyl) amino) -4,8-di (piperidin-1-yl) pyrimido[5,4-d]pyrimidin-2-yl) azanediyl) bis (ethan-1-ol)

Chemical Information

Desethanol dipyridamole
CAS Number1176886-12-6
PubChem CID71315611
IUPAC Name2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
Molecular FormulaC22H36N8O3
Molecular Weight460.6
XLogP1.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity558
SMILES
C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)NCCO)N(CCO)CCO
InChI
InChI=1S/C22H36N8O3/c31-14-7-23-21-24-17-18(19(26-21)28-8-3-1-4-9-28)25-22(30(12-15-32)13-16-33)27-20(17)29-10-5-2-6-11-29/h31-33H,1-16H2,(H,23,24,26)
InChIKey
LGCKSSCCUCOTIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desethanol dipyridamole
CAS: 1176886-12-6
CID: 71315611
Formula: C22H36N8O3
MW: 460.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight460.6
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass460.29103704
Monoisotopic Mass460.29103704
Topological Polar Surface Area134 Ų
Heavy Atom Count33
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes