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Pharmaceutical impurity

Tricosanoic Acid Impurity 1

Tricosanoic Acid Impurity 1 is listed in the pharmaceutical impurity collection under CAS 2433-97-8. Its represented structure has formula C24H48O2 and a calculated molecular weight of 368.65 g/mol.

2D chemical structure

O O

Chemical identity

Catalog name
Tricosanoic Acid Impurity 1
Common name
Tricosanoic Acid Impurity 1
Chemical name
methyl tricosanoate
CAS
2433-97-8
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3
InChIKey
VORKGRIRMPBCCZ-UHFFFAOYSA-N
Associated API
Tricosanoic Acid

Record ID: A3c2625ca9e06

Computed properties

C24H48O2 Molecular formula
368.646 g/molMolecular weight
368.3654 DaMonoisotopic exact mass
26.3 ŲTopological polar surface area
8.3714 Calculated LogP (Wildman–Crippen)
114.647 cm³/molMolar refractivity (Wildman–Crippen)
2 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 6 12 18 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H O 0 15 30 45 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 weight368.64662.28
Calculated LogP (Wildman–Crippen)8.371498.54
Topological polar surface area26.310.80
Hydrogen-bond acceptors215.92
Hydrogen-bond donors011.28
Rotatable bonds (strict)2198.86

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC24H48O2dimensionless
Molecular weight368.646g/mol
Monoisotopic exact mass368.3654Da
Topological polar surface area26.3Ų
Calculated LogP (Wildman–Crippen)8.3714dimensionless
Molar refractivity (Wildman–Crippen)114.647cm³/mol
Hydrogen-bond acceptors2count
Hydrogen-bond donors0count
Rotatable bonds (strict)21count
Heavy atoms26count
Heteroatoms2count
Rings0count
Aromatic rings0count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.9583fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area164.408Ų
Valence electrons156count
Radical electrons0count
Bertz complexity275.3842index
Balaban J2.9969index

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 Tricosanoic Acid Impurity 1

Qualification and safety assessment of Tricosanoic Acid Impurity 1

Explore toxicological qualification of Tricosanoic Acid Impurity 1 and ICH M7 mutagenic impurity assessment of Tricosanoic Acid Impurity 1 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Tricosanoic Acid Impurity 1 and acceptable intake and limit justification for Tricosanoic Acid Impurity 1. 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 Tricosanoic Acid Impurity 1

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