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Pharmaceutical impurity

Oseltamivir Impurity 60

Oseltamivir Impurity 60 is listed in the pharmaceutical impurity collection under CAS 204255-04-9. Its represented structure has formula C14H24N4O3 and a calculated molecular weight of 296.37 g/mol.

2D chemical structure

O O O N H 2 N N + N - ( R ) ( R ) ( S )

Chemical identity

Catalog name
Oseltamivir Impurity 60
Common name
Oseltamivir Impurity 60
Chemical name
ethyl (3R,4R,5S)-4-amino-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate
CAS
204255-04-9
SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](N)[C@@H](N=[N+]=[N-])C1
InChI
InChI=1S/C14H24N4O3/c1-4-10(5-2)21-12-8-9(14(19)20-6-3)7-11(13(12)15)17-18-16/h8,10-13H,4-7,15H2,1-3H3/t11-,12+,13+/m0/s1
InChIKey
UXJWNTIKRKKBGZ-YNEHKIRRSA-N
Associated API
Oseltamivir

Record ID: A9b5a2b7a9617

Computed properties

C14H24N4O3 Molecular formula
296.371 g/molMolecular weight
296.1848 DaMonoisotopic exact mass
110.31 ŲTopological polar surface area
2.4596 Calculated LogP (Wildman–Crippen)
79.4854 cm³/molMolar refractivity (Wildman–Crippen)
5 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 2 4 6 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O 0 6 12 18 24 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 weight296.37143.04
Calculated LogP (Wildman–Crippen)2.459651.46
Topological polar surface area110.3177.59
Hydrogen-bond acceptors565.12
Hydrogen-bond donors138.08
Rotatable bonds (strict)776.94

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC14H24N4O3dimensionless
Molecular weight296.371g/mol
Monoisotopic exact mass296.1848Da
Topological polar surface area110.31Ų
Calculated LogP (Wildman–Crippen)2.4596dimensionless
Molar refractivity (Wildman–Crippen)79.4854cm³/mol
Hydrogen-bond acceptors5count
Hydrogen-bond donors1count
Rotatable bonds (strict)7count
Heavy atoms21count
Heteroatoms7count
Rings1count
Aromatic rings0count
Aliphatic rings1count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles0count
Aliphatic carbocycles1count
Fraction of sp³ carbon atoms0.7857fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters3count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area124.6503Ų
Valence electrons118count
Radical electrons0count
Bertz complexity427.9351index
Balaban J2.967index

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 Oseltamivir Impurity 60

Qualification and safety assessment of Oseltamivir Impurity 60

Explore toxicological qualification of Oseltamivir Impurity 60 and ICH M7 mutagenic impurity assessment of Oseltamivir Impurity 60 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Oseltamivir Impurity 60 and acceptable intake and limit justification for Oseltamivir Impurity 60. 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 Oseltamivir Impurity 60

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