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Pharmaceutical impurity

Naproxen EP Impurity E

Naproxen EP Impurity E is listed in the pharmaceutical impurity collection under CAS 26159-35-3. Its represented structure has formula C15H16O3 and a calculated molecular weight of 244.29 g/mol.

2D chemical structure

O O O ( S )

Chemical identity

Catalog name
Naproxen EP Impurity E
Common name
Naproxen EP Impurity E
Chemical name
methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CAS
26159-35-3
SMILES
COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChI
InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1
InChIKey
ZFYFBPCRUQZGJE-JTQLQIEISA-N
Associated API
Naproxen

Record ID: Ae0bf34bca123

Computed properties

C15H16O3 Molecular formula
244.29 g/molMolecular weight
244.1099 DaMonoisotopic exact mass
35.53 ŲTopological polar surface area
3.1249 Calculated LogP (Wildman–Crippen)
70.931 cm³/molMolar refractivity (Wildman–Crippen)
3 countHydrogen-bond acceptors
0 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 2 3 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H O 0 4 8 12 16 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 weight244.2928.76
Calculated LogP (Wildman–Crippen)3.124964.19
Topological polar surface area35.5317.27
Hydrogen-bond acceptors333.13
Hydrogen-bond donors011.28
Rotatable bonds (strict)337.08

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC15H16O3dimensionless
Molecular weight244.29g/mol
Monoisotopic exact mass244.1099Da
Topological polar surface area35.53Ų
Calculated LogP (Wildman–Crippen)3.1249dimensionless
Molar refractivity (Wildman–Crippen)70.931cm³/mol
Hydrogen-bond acceptors3count
Hydrogen-bond donors0count
Rotatable bonds (strict)3count
Heavy atoms18count
Heteroatoms3count
Rings2count
Aromatic rings2count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles2count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.2667fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area106.3264Ų
Valence electrons94count
Radical electrons0count
Bertz complexity574.9605index
Balaban J2.4152index

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 Naproxen EP Impurity E

Qualification and safety assessment of Naproxen EP Impurity E

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

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

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