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Database / Pharmaceutical impurity

Pharmaceutical impurity

tranexamic acid impurity D

tranexamic acid impurity D is listed in the pharmaceutical impurity collection under CAS 56-91-7. Its represented structure has formula C8H9NO2 and a calculated molecular weight of 151.16 g/mol.

2D chemical structure

H 2 N O O H

Chemical identity

Catalog name
tranexamic acid impurity D
Common name
tranexamic acid impurity D
Chemical name
Not available
CAS
56-91-7
SMILES
NCc1ccc(C(=O)O)cc1
InChI
InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
QCTBMLYLENLHLA-UHFFFAOYSA-N
Associated API
tranexamic acid | Tranexamic acid

Record ID: Aa77c2ccf1920

Computed properties

C8H9NO2 Molecular formula
151.165 g/molMolecular weight
151.0633 DaMonoisotopic exact mass
63.32 ŲTopological polar surface area
0.8435 Calculated LogP (Wildman–Crippen)
41.2927 cm³/molMolar refractivity (Wildman–Crippen)
2 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 1 2 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O 0 2 4 6 8 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 weight151.1656.14
Calculated LogP (Wildman–Crippen)0.843523.17
Topological polar surface area63.3243.62
Hydrogen-bond acceptors215.92
Hydrogen-bond donors264.87
Rotatable bonds (strict)224.16

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC8H9NO2dimensionless
Molecular weight151.165g/mol
Monoisotopic exact mass151.0633Da
Topological polar surface area63.32Ų
Calculated LogP (Wildman–Crippen)0.8435dimensionless
Molar refractivity (Wildman–Crippen)41.2927cm³/mol
Hydrogen-bond acceptors2count
Hydrogen-bond donors2count
Rotatable bonds (strict)2count
Heavy atoms11count
Heteroatoms3count
Rings1count
Aromatic rings1count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.125fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area64.4569Ų
Valence electrons58count
Radical electrons0count
Bertz complexity253.2995index
Balaban J2.9138index

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 tranexamic acid impurity D

Qualification and safety assessment of tranexamic acid impurity D

Explore toxicological qualification of tranexamic acid impurity D and ICH M7 mutagenic impurity assessment of tranexamic acid impurity D for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for tranexamic acid impurity D and acceptable intake and limit justification for tranexamic acid impurity D. 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 tranexamic acid impurity D

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