Pharmaceutical impurity

Mianserin

Mianserin is listed in the pharmaceutical impurity collection under CAS 24219-97-4. Its represented structure has formula C18H20N2 and a calculated molecular weight of 264.37 g/mol.

2D chemical structure

Chemical identity

Catalog name: Mianserin
Common name: Mianserin
Chemical name: 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CAS: 24219-97-4
SMILES: CN1CCN2c3ccccc3Cc3ccccc3C2C1
InChI: InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
InChIKey: UEQUQVLFIPOEMF-UHFFFAOYSA-N

Record ID: Ab057ad701649

Computed properties

C18H20N2 Molecular formula

264.372 g/molMolecular weight

264.1626 DaMonoisotopic exact mass

6.48 Å²Topological polar surface area

3.0839 Calculated LogP (Wildman–Crippen)

83.274 cm³/molMolar refractivity (Wildman–Crippen)

2 countHydrogen-bond acceptors

0 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD. 1 potential atom stereocenters have unspecified configuration.

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	264.372	33.81
Calculated LogP (Wildman–Crippen)	3.0839	63.50
Topological polar surface area	6.48	1.80
Hydrogen-bond acceptors	2	15.92
Hydrogen-bond donors	0	11.28
Rotatable bonds (strict)	0	3.45

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C18H20N2	dimensionless
Molecular weight	264.372	g/mol
Monoisotopic exact mass	264.1626	Da
Topological polar surface area	6.48	Å²
Calculated LogP (Wildman–Crippen)	3.0839	dimensionless
Molar refractivity (Wildman–Crippen)	83.274	cm³/mol
Hydrogen-bond acceptors	2	count
Hydrogen-bond donors	0	count
Rotatable bonds (strict)	0	count
Heavy atoms	20	count
Heteroatoms	2	count
Rings	4	count
Aromatic rings	2	count
Aliphatic rings	2	count
Saturated rings	1	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	2	count
Saturated heterocycles	1	count
Aromatic carbocycles	2	count
Aliphatic carbocycles	0	count
Fraction of sp³ carbon atoms	0.3333	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	1	count
Unspecified atom stereocenters	1	count
Spiro atoms	0	count
Bridgehead atoms	0	count
Labute approximate surface area	120.1862	Å²
Valence electrons	102	count
Radical electrons	0	count
Bertz complexity	634.8203	index
Balaban J	1.9018	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 Mianserin

Qualification and safety assessment of Mianserin

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

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