Altox

Database / Pharmaceutical impurity

Pharmaceutical impurity

Indapamide Impurity 22

Indapamide Impurity 22 is listed in the pharmaceutical impurity collection under CAS 85392-00-3. Its represented structure has formula C10H16N2O3S and a calculated molecular weight of 244.32 g/mol.

2D chemical structure

N H 2 N S O O O H

Chemical identity

Catalog name
Indapamide Impurity 22
Common name
Indapamide Impurity 22
Chemical name
methanesulfonic acid;2-methyl-2,3-dihydroindol-1-amine
CAS
85392-00-3
SMILES
CC1Cc2ccccc2N1N.CS(=O)(=O)O
InChI
InChI=1S/C9H12N2.CH4O3S/c1-7-6-8-4-2-3-5-9(8)11(7)10;1-5(2,3)4/h2-5,7H,6,10H2,1H3;1H3,(H,2,3,4)
InChIKey
AABDXUWNJVGEES-UHFFFAOYSA-N
Associated API
Indapamide

Record ID: Aabb743dadfc8

Computed properties

C10H16N2O3S Molecular formula
244.316 g/molMolecular weight
244.0882 DaMonoisotopic exact mass
83.63 ŲTopological polar surface area
0.8153 Calculated LogP (Wildman–Crippen)
63.747 cm³/molMolar refractivity (Wildman–Crippen)
4 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. The SMILES contains 2 disconnected components. Calculations retain all represented components. 1 potential atom stereocenters have unspecified configuration.

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 S 0 4 8 12 16 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 weight244.31628.79
Calculated LogP (Wildman–Crippen)0.815322.71
Topological polar surface area83.6360.73
Hydrogen-bond acceptors450.68
Hydrogen-bond donors264.87
Rotatable bonds (strict)03.45

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC10H16N2O3Sdimensionless
Molecular weight244.316g/mol
Monoisotopic exact mass244.0882Da
Topological polar surface area83.63Ų
Calculated LogP (Wildman–Crippen)0.8153dimensionless
Molar refractivity (Wildman–Crippen)63.747cm³/mol
Hydrogen-bond acceptors4count
Hydrogen-bond donors2count
Rotatable bonds (strict)0count
Heavy atoms16count
Heteroatoms6count
Rings2count
Aromatic rings1count
Aliphatic rings1count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles1count
Saturated heterocycles0count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.4fraction
Formal charge0e
Disconnected components2count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters1count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area95.5897Ų
Valence electrons90count
Radical electrons0count
Bertz complexity450.8869index
Balaban J0index

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 Indapamide Impurity 22

Qualification and safety assessment of Indapamide Impurity 22

Explore toxicological qualification of Indapamide Impurity 22 and ICH M7 mutagenic impurity assessment of Indapamide Impurity 22 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Indapamide Impurity 22 and acceptable intake and limit justification for Indapamide Impurity 22. 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 Indapamide Impurity 22

Explore Altox services and software through the Altox Pharma-Hub.