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Pharmaceutical impurity

Zolpidem Impurity 27

Zolpidem Impurity 27 is listed in the pharmaceutical impurity collection under CAS 329744-21-0. Its represented structure has formula C20H23N3O2 and a calculated molecular weight of 337.42 g/mol.

2D chemical structure

O O N N N

Chemical identity

Catalog name
Zolpidem Impurity 27
Common name
Zolpidem Impurity 27
Chemical name
2-methoxy-N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CAS
329744-21-0
SMILES
COC(C(=O)N(C)C)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12
InChI
InChI=1S/C20H23N3O2/c1-13-6-9-15(10-7-13)17-18(19(25-5)20(24)22(3)4)23-12-14(2)8-11-16(23)21-17/h6-12,19H,1-5H3
InChIKey
RVURPPKCRUJEHK-UHFFFAOYSA-N
Associated API
Zolpidem

Record ID: A67ce3d30405b

Computed properties

C20H23N3O2 Molecular formula
337.423 g/molMolecular weight
337.179 DaMonoisotopic exact mass
46.84 ŲTopological polar surface area
3.3938 Calculated LogP (Wildman–Crippen)
98.546 cm³/molMolar refractivity (Wildman–Crippen)
3 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

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 5 10 15 20 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 weight337.42354.93
Calculated LogP (Wildman–Crippen)3.393869.06
Topological polar surface area46.8429.10
Hydrogen-bond acceptors333.13
Hydrogen-bond donors011.28
Rotatable bonds (strict)449.39

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC20H23N3O2dimensionless
Molecular weight337.423g/mol
Monoisotopic exact mass337.179Da
Topological polar surface area46.84Ų
Calculated LogP (Wildman–Crippen)3.3938dimensionless
Molar refractivity (Wildman–Crippen)98.546cm³/mol
Hydrogen-bond acceptors3count
Hydrogen-bond donors0count
Rotatable bonds (strict)4count
Heavy atoms25count
Heteroatoms5count
Rings3count
Aromatic rings3count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles2count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.3fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters1count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area147.4158Ų
Valence electrons130count
Radical electrons0count
Bertz complexity910.586index
Balaban J2.288index

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 Zolpidem Impurity 27

Qualification and safety assessment of Zolpidem Impurity 27

Explore toxicological qualification of Zolpidem Impurity 27 and ICH M7 mutagenic impurity assessment of Zolpidem Impurity 27 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Zolpidem Impurity 27 and acceptable intake and limit justification for Zolpidem Impurity 27. 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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