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Pharmaceutical impurity

Teneligliptin impurity 7 (saxagliptin impurity 11)

Teneligliptin impurity 7 (saxagliptin impurity 11) is listed in the pharmaceutical impurity collection under CAS 2407632-38-4. Its represented structure has formula C19H25N5O2 and a calculated molecular weight of 355.44 g/mol.

2D chemical structure

N N N H O O H N N ( S ) ( S )

Chemical identity

Catalog name
Teneligliptin impurity 7 (saxagliptin impurity 11)
Common name
Teneligliptin impurity 7 (saxagliptin impurity 11)
Chemical name
(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid
CAS
2407632-38-4
SMILES
Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)O)C3)CC2)n(-c2ccccc2)n1
InChI
InChI=1S/C19H25N5O2/c1-14-11-18(24(21-14)15-5-3-2-4-6-15)23-9-7-22(8-10-23)16-12-17(19(25)26)20-13-16/h2-6,11,16-17,20H,7-10,12-13H2,1H3,(H,25,26)/t16-,17-/m0/s1
InChIKey
ORGQCXKXXRRSMR-IRXDYDNUSA-N
Associated API
Teneligliptin

Record ID: A9390a330b196

Computed properties

C19H25N5O2 Molecular formula
355.442 g/molMolecular weight
355.2008 DaMonoisotopic exact mass
73.63 ŲTopological polar surface area
1.1178 Calculated LogP (Wildman–Crippen)
99.9185 cm³/molMolar refractivity (Wildman–Crippen)
5 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 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 weight355.44259.43
Calculated LogP (Wildman–Crippen)1.117827.16
Topological polar surface area73.6352.77
Hydrogen-bond acceptors565.12
Hydrogen-bond donors264.87
Rotatable bonds (strict)449.39

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC19H25N5O2dimensionless
Molecular weight355.442g/mol
Monoisotopic exact mass355.2008Da
Topological polar surface area73.63Ų
Calculated LogP (Wildman–Crippen)1.1178dimensionless
Molar refractivity (Wildman–Crippen)99.9185cm³/mol
Hydrogen-bond acceptors5count
Hydrogen-bond donors2count
Rotatable bonds (strict)4count
Heavy atoms26count
Heteroatoms7count
Rings4count
Aromatic rings2count
Aliphatic rings2count
Saturated rings2count
Aromatic heterocycles1count
Aliphatic heterocycles2count
Saturated heterocycles2count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.4737fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters2count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area152.7588Ų
Valence electrons138count
Radical electrons0count
Bertz complexity767.4916index
Balaban J1.4372index

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 Teneligliptin impurity 7 (saxagliptin impurity 11)

Qualification and safety assessment of Teneligliptin impurity 7 (saxagliptin impurity 11)

Explore toxicological qualification of Teneligliptin impurity 7 (saxagliptin impurity 11) and ICH M7 mutagenic impurity assessment of Teneligliptin impurity 7 (saxagliptin impurity 11) for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Teneligliptin impurity 7 (saxagliptin impurity 11) and acceptable intake and limit justification for Teneligliptin impurity 7 (saxagliptin impurity 11). The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

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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