Altox

Database / Pharmaceutical impurity

Pharmaceutical impurity

Dipyridamole EP Impurity A

Dipyridamole EP Impurity A is listed in the pharmaceutical impurity collection under CAS 16982-40-4. Its represented structure has formula C25H40N8O2 and a calculated molecular weight of 484.65 g/mol.

2D chemical structure

H O N H O N N N N N N N

Chemical identity

Catalog name
Dipyridamole EP Impurity A
Common name
Dipyridamole EP Impurity A
Chemical name
2-[2-hydroxyethyl-[4,6,8-tri(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol
CAS
16982-40-4
SMILES
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N3CCCCC3)nc(N3CCCCC3)c2n1
InChI
InChI=1S/C25H40N8O2/c34-18-16-33(17-19-35)25-27-21-20(23(29-25)31-12-6-2-7-13-31)26-24(32-14-8-3-9-15-32)28-22(21)30-10-4-1-5-11-30/h34-35H,1-19H2
InChIKey
QYMDDAUYVDAXDI-UHFFFAOYSA-N
Associated API
Dipyridamole

Record ID: A19b0a8d4034f

Computed properties

C25H40N8O2 Molecular formula
484.649 g/molMolecular weight
484.3274 DaMonoisotopic exact mass
104.98 ŲTopological polar surface area
2.1817 Calculated LogP (Wildman–Crippen)
139.7046 cm³/molMolar refractivity (Wildman–Crippen)
10 countHydrogen-bond acceptors
2 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Mol. weight LogP TPSA HBA HBD Rotatable 25 50 75 100

Structural feature counts

0 3 6 9 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O 0 10 20 30 40 Number of atoms

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference
DescriptorValuePercentile
Molecular weight484.64983.57
Calculated LogP (Wildman–Crippen)2.181745.97
Topological polar surface area104.9874.94
Hydrogen-bond acceptors1093.21
Hydrogen-bond donors264.87
Rotatable bonds (strict)882.26

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC25H40N8O2dimensionless
Molecular weight484.649g/mol
Monoisotopic exact mass484.3274Da
Topological polar surface area104.98Ų
Calculated LogP (Wildman–Crippen)2.1817dimensionless
Molar refractivity (Wildman–Crippen)139.7046cm³/mol
Hydrogen-bond acceptors10count
Hydrogen-bond donors2count
Rotatable bonds (strict)8count
Heavy atoms35count
Heteroatoms10count
Rings5count
Aromatic rings2count
Aliphatic rings3count
Saturated rings3count
Aromatic heterocycles2count
Aliphatic heterocycles3count
Saturated heterocycles3count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.76fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area207.5359Ų
Valence electrons192count
Radical electrons0count
Bertz complexity965.5834index
Balaban J1.6896index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Dipyridamole EP Impurity A

Qualification and safety assessment of Dipyridamole EP Impurity A

Explore toxicological qualification of Dipyridamole EP Impurity A and ICH M7 mutagenic impurity assessment of Dipyridamole EP Impurity A for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Dipyridamole EP Impurity A and acceptable intake and limit justification for Dipyridamole EP Impurity A. The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

Discuss an assessment for Dipyridamole EP Impurity A

Explore Altox services and software through the Altox Pharma-Hub.