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Pharmaceutical impurity

Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol

Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol is listed in the pharmaceutical impurity collection under CAS 2215-63-6. Its represented structure has formula C14H12N2O and a calculated molecular weight of 224.26 g/mol.

2D chemical structure

O H N N

Chemical identity

Catalog name
Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol
Common name
Benzydamine Hydrochloride Imp. C (BP)
Chemical name
1-Benzyl-1H-indazol-3-ol
CAS
2215-63-6
SMILES
Oc1nn(Cc2ccccc2)c2ccccc12
InChI
InChI=1S/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChIKey
SXPJFDSMKWLOAB-UHFFFAOYSA-N
Associated API
Benzydamine Hydrochloride

Record ID: A3fde451d1c73

Computed properties

C14H12N2O Molecular formula
224.263 g/molMolecular weight
224.095 DaMonoisotopic exact mass
38.05 ŲTopological polar surface area
2.7902 Calculated LogP (Wildman–Crippen)
66.9418 cm³/molMolar refractivity (Wildman–Crippen)
2 countHydrogen-bond acceptors
1 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 3 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O 0 3 6 9 12 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 weight224.26323.68
Calculated LogP (Wildman–Crippen)2.790257.75
Topological polar surface area38.0519.88
Hydrogen-bond acceptors215.92
Hydrogen-bond donors138.08
Rotatable bonds (strict)224.16

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC14H12N2Odimensionless
Molecular weight224.263g/mol
Monoisotopic exact mass224.095Da
Topological polar surface area38.05Ų
Calculated LogP (Wildman–Crippen)2.7902dimensionless
Molar refractivity (Wildman–Crippen)66.9418cm³/mol
Hydrogen-bond acceptors2count
Hydrogen-bond donors1count
Rotatable bonds (strict)2count
Heavy atoms17count
Heteroatoms3count
Rings3count
Aromatic rings3count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles1count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles2count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.0714fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area98.9366Ų
Valence electrons84count
Radical electrons0count
Bertz complexity643.6359index
Balaban J2.0676index

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 Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol

Qualification and safety assessment of Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol

Explore toxicological qualification of Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol and ICH M7 mutagenic impurity assessment of Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol and acceptable intake and limit justification for Benzydamine Hydrochloride Imp. C (BP): 1-Benzyl-1H-indazol-3-ol. 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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