Pharmaceutical impurity

Cilostazol Impurity 8

Cilostazol Impurity 8 is listed in the pharmaceutical impurity collection under CAS 29682-12-0. Its represented structure has formula C15H14O3 and a calculated molecular weight of 242.27 g/mol.

2D chemical structure

Chemical identity

Catalog name: Cilostazol Impurity 8
Common name: Cilostazol Impurity 8
Chemical name: 1-(2-hydroxy-4-phenylmethoxyphenyl)ethanone
CAS: 29682-12-0
SMILES: CC(=O)c1ccc(OCc2ccccc2)cc1O
InChI: InChI=1S/C15H14O3/c1-11(16)14-8-7-13(9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKey: AGQNLHOTLJFJCG-UHFFFAOYSA-N
Associated API: Cilostazol

Record ID: A70564f7d8117

Computed properties

C15H14O3 Molecular formula

242.274 g/molMolecular weight

242.0943 DaMonoisotopic exact mass

46.53 Å²Topological polar surface area

3.1738 Calculated LogP (Wildman–Crippen)

68.8853 cm³/molMolar refractivity (Wildman–Crippen)

3 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

Structural feature counts

Element composition

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

Descriptor	Value	Percentile
Molecular weight	242.274	28.09
Calculated LogP (Wildman–Crippen)	3.1738	65.11
Topological polar surface area	46.53	28.31
Hydrogen-bond acceptors	3	33.13
Hydrogen-bond donors	1	38.08
Rotatable bonds (strict)	4	49.39

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C15H14O3	dimensionless
Molecular weight	242.274	g/mol
Monoisotopic exact mass	242.0943	Da
Topological polar surface area	46.53	Å²
Calculated LogP (Wildman–Crippen)	3.1738	dimensionless
Molar refractivity (Wildman–Crippen)	68.8853	cm³/mol
Hydrogen-bond acceptors	3	count
Hydrogen-bond donors	1	count
Rotatable bonds (strict)	4	count
Heavy atoms	18	count
Heteroatoms	3	count
Rings	2	count
Aromatic rings	2	count
Aliphatic rings	0	count
Saturated rings	0	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	0	count
Saturated heterocycles	0	count
Aromatic carbocycles	2	count
Aliphatic carbocycles	0	count
Fraction of sp³ carbon atoms	0.1333	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	0	count
Unspecified atom stereocenters	0	count
Spiro atoms	0	count
Bridgehead atoms	0	count
Labute approximate surface area	105.6526	Å²
Valence electrons	92	count
Radical electrons	0	count
Bertz complexity	546.9201	index
Balaban J	2.0687	index

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 Cilostazol Impurity 8

Qualification and safety assessment of Cilostazol Impurity 8

Explore toxicological qualification of Cilostazol Impurity 8 and ICH M7 mutagenic impurity assessment of Cilostazol Impurity 8 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Cilostazol Impurity 8 and acceptable intake and limit justification for Cilostazol Impurity 8. 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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