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Pharmaceutical impurity

Sildenafil Impurity E

Sildenafil Impurity E is listed in the pharmaceutical impurity collection under CAS 288-32-4. Its represented structure has formula C3H4N2 and a calculated molecular weight of 68.08 g/mol.

2D chemical structure

H N N

Chemical identity

Catalog name
Sildenafil Impurity E
Common name
Sildenafil Impurity E
Chemical name
1H-imidazole
CAS
288-32-4
SMILES
c1c[nH]cn1
InChI
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
InChIKey
RAXXELZNTBOGNW-UHFFFAOYSA-N
Associated API
Sildenafil

Record ID: A2268230834bd

Computed properties

C3H4N2 Molecular formula
68.079 g/molMolecular weight
68.0374 DaMonoisotopic exact mass
28.68 ŲTopological polar surface area
0.4097 Calculated LogP (Wildman–Crippen)
18.5877 cm³/molMolar refractivity (Wildman–Crippen)
1 countHydrogen-bond acceptors
1 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 1 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N 0 1 2 3 4 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 weight68.0790.11
Calculated LogP (Wildman–Crippen)0.409717.79
Topological polar surface area28.6812.04
Hydrogen-bond acceptors14.43
Hydrogen-bond donors138.08
Rotatable bonds (strict)03.45

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC3H4N2dimensionless
Molecular weight68.079g/mol
Monoisotopic exact mass68.0374Da
Topological polar surface area28.68Ų
Calculated LogP (Wildman–Crippen)0.4097dimensionless
Molar refractivity (Wildman–Crippen)18.5877cm³/mol
Hydrogen-bond acceptors1count
Hydrogen-bond donors1count
Rotatable bonds (strict)0count
Heavy atoms5count
Heteroatoms2count
Rings1count
Aromatic rings1count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles1count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area29.8602Ų
Valence electrons26count
Radical electrons0count
Bertz complexity61.3699index
Balaban J3.125index

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 Sildenafil Impurity E

Qualification and safety assessment of Sildenafil Impurity E

Explore toxicological qualification of Sildenafil Impurity E and ICH M7 mutagenic impurity assessment of Sildenafil Impurity E for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Sildenafil Impurity E and acceptable intake and limit justification for Sildenafil Impurity E. 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 Sildenafil Impurity E

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