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Pharmaceutical impurity

N,O-Ditrityl Losartan

N,O-Ditrityl Losartan is listed in the pharmaceutical impurity collection under CAS 1796930-34-1. Its represented structure has formula C60H51ClN6O and a calculated molecular weight of 907.56 g/mol.

2D chemical structure

N C l O N N N N N

Chemical identity

Catalog name
N,O-Ditrityl Losartan
Common name
N,O-Ditrityl Losartan
Chemical name
5-[2-[4-[[2-butyl-4-chloro-5-(trityloxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]-2-trityl-tetrazole
CAS
1796930-34-1
SMILES
CCCCc1nc(Cl)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChI
InChI=1S/C60H51ClN6O/c1-2-3-38-56-62-57(61)55(44-68-60(50-30-16-7-17-31-50,51-32-18-8-19-33-51)52-34-20-9-21-35-52)66(56)43-45-39-41-46(42-40-45)53-36-22-23-37-54(53)58-63-65-67(64-58)59(47-24-10-4-11-25-47,48-26-12-5-13-27-48)49-28-14-6-15-29-49/h4-37,39-42H,2-3,38,43-44H2,1H3
InChIKey
LGPCFVMMWWOVEZ-UHFFFAOYSA-N
Associated API
Losartan Potassium

Record ID: A17fbebc4e64b

Computed properties

C60H51ClN6O Molecular formula
907.562 g/molMolecular weight
906.3813 DaMonoisotopic exact mass
70.65 ŲTopological polar surface area
13.5968 Calculated LogP (Wildman–Crippen)
272.243 cm³/molMolar refractivity (Wildman–Crippen)
5 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 5 10 15 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C Cl H N O 0 15 30 45 60 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 weight907.56298.18
Calculated LogP (Wildman–Crippen)13.596899.85
Topological polar surface area70.6550.41
Hydrogen-bond acceptors565.12
Hydrogen-bond donors011.28
Rotatable bonds (strict)1797.79

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC60H51ClN6Odimensionless
Molecular weight907.562g/mol
Monoisotopic exact mass906.3813Da
Topological polar surface area70.65Ų
Calculated LogP (Wildman–Crippen)13.5968dimensionless
Molar refractivity (Wildman–Crippen)272.243cm³/mol
Hydrogen-bond acceptors5count
Hydrogen-bond donors0count
Rotatable bonds (strict)17count
Heavy atoms68count
Heteroatoms8count
Rings10count
Aromatic rings10count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles2count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles8count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.1333fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area402.9038Ų
Valence electrons334count
Radical electrons0count
Bertz complexity2,985.5043index
Balaban J0.9916index

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 N,O-Ditrityl Losartan

Qualification and safety assessment of N,O-Ditrityl Losartan

Explore toxicological qualification of N,O-Ditrityl Losartan and ICH M7 mutagenic impurity assessment of N,O-Ditrityl Losartan for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for N,O-Ditrityl Losartan and acceptable intake and limit justification for N,O-Ditrityl Losartan. 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.

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