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Pharmaceutical impurity

Losartan Related Compound B

Losartan Related Compound B is listed in the pharmaceutical impurity collection under CAS 1006062-27-6. Its represented structure has formula C24H25ClN6O2 and a calculated molecular weight of 464.96 g/mol.

2D chemical structure

N C l O O N N N N H N

Chemical identity

Catalog name
Losartan Related Compound B
Common name
Losartan Related Compound B
Chemical name
Not available
CAS
1006062-27-6
SMILES
CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI
InChI=1S/C24H25ClN6O2/c1-3-4-9-22-26-23(25)21(15-33-16(2)32)31(22)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24-27-29-30-28-24/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,28,29,30)
InChIKey
HIUYRCVDCVFSBP-UHFFFAOYSA-N
Associated API
losartan | Losartan

Record ID: Aebe2e7c3f175

Computed properties

C24H25ClN6O2 Molecular formula
464.957 g/molMolecular weight
464.1728 DaMonoisotopic exact mass
98.58 ŲTopological polar surface area
4.8376 Calculated LogP (Wildman–Crippen)
125.4707 cm³/molMolar refractivity (Wildman–Crippen)
6 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 3 6 9 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C Cl 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 weight464.95781.04
Calculated LogP (Wildman–Crippen)4.837688.17
Topological polar surface area98.5871.16
Hydrogen-bond acceptors675.83
Hydrogen-bond donors138.08
Rotatable bonds (strict)986.25

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC24H25ClN6O2dimensionless
Molecular weight464.957g/mol
Monoisotopic exact mass464.1728Da
Topological polar surface area98.58Ų
Calculated LogP (Wildman–Crippen)4.8376dimensionless
Molar refractivity (Wildman–Crippen)125.4707cm³/mol
Hydrogen-bond acceptors6count
Hydrogen-bond donors1count
Rotatable bonds (strict)9count
Heavy atoms33count
Heteroatoms9count
Rings4count
Aromatic rings4count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles2count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles2count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.2917fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area196.5128Ų
Valence electrons170count
Radical electrons0count
Bertz complexity1,218.4976index
Balaban J1.6178index

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 Losartan Related Compound B

Qualification and safety assessment of Losartan Related Compound B

Explore toxicological qualification of Losartan Related Compound B and ICH M7 mutagenic impurity assessment of Losartan Related Compound B for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Losartan Related Compound B and acceptable intake and limit justification for Losartan Related Compound B. 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 Losartan Related Compound B

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