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Pharmaceutical impurity

Albendazole EP Impurity F

Albendazole EP Impurity F is listed in the pharmaceutical impurity collection under CAS 80983-45-5. Its represented structure has formula C10H11N3O2S and a calculated molecular weight of 237.28 g/mol.

2D chemical structure

O O N H N S H N

Chemical identity

Catalog name
Albendazole EP Impurity F
Common name
Albendazole EP Impurity F
Chemical name
methyl N-(5-methylsulfanyl-1H-benzimidazol-2-yl)carbamate
CAS
80983-45-5
SMILES
COC(=O)Nc1nc2cc(SC)ccc2[nH]1
InChI
InChI=1S/C10H11N3O2S/c1-15-10(14)13-9-11-7-4-3-6(16-2)5-8(7)12-9/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKey
KOELMGUJAFAZST-UHFFFAOYSA-N
Associated API
Albendazole

Record ID: Adbe7c18f792a

Computed properties

C10H11N3O2S Molecular formula
237.284 g/molMolecular weight
237.0572 DaMonoisotopic exact mass
67.01 ŲTopological polar surface area
2.4631 Calculated LogP (Wildman–Crippen)
63.9024 cm³/molMolar refractivity (Wildman–Crippen)
4 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 2 4 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O S 0 3 6 9 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 weight237.28426.95
Calculated LogP (Wildman–Crippen)2.463151.51
Topological polar surface area67.0147.62
Hydrogen-bond acceptors450.68
Hydrogen-bond donors264.87
Rotatable bonds (strict)224.16

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC10H11N3O2Sdimensionless
Molecular weight237.284g/mol
Monoisotopic exact mass237.0572Da
Topological polar surface area67.01Ų
Calculated LogP (Wildman–Crippen)2.4631dimensionless
Molar refractivity (Wildman–Crippen)63.9024cm³/mol
Hydrogen-bond acceptors4count
Hydrogen-bond donors2count
Rotatable bonds (strict)2count
Heavy atoms16count
Heteroatoms6count
Rings2count
Aromatic rings2count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles1count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.2fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area96.5847Ų
Valence electrons84count
Radical electrons0count
Bertz complexity523.7585index
Balaban J2.3227index

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 Albendazole EP Impurity F

Qualification and safety assessment of Albendazole EP Impurity F

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

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

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