Altox

Database / Pharmaceutical impurity

Pharmaceutical impurity

Linezolid Related Compound D

Linezolid Related Compound D is listed in the pharmaceutical impurity collection under CAS 174649-09-3. Its represented structure has formula C15H19FN2O6S and a calculated molecular weight of 374.39 g/mol.

2D chemical structure

S O O O N N O F O O ( R )

Chemical identity

Catalog name
Linezolid Related Compound D
Common name
Linezolid Related Compound D
Chemical name
[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl methanesulfonate
CAS
174649-09-3
SMILES
CS(=O)(=O)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChI
InChI=1S/C15H19FN2O6S/c1-25(20,21)23-10-12-9-18(15(19)24-12)11-2-3-14(13(16)8-11)17-4-6-22-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m1/s1
InChIKey
UCVIKCGVGWBTTI-GFCCVEGCSA-N
Associated API
linezolid | Linezolid

Record ID: A0dfd1638184c

Computed properties

C15H19FN2O6S Molecular formula
374.39 g/molMolecular weight
374.0948 DaMonoisotopic exact mass
85.38 ŲTopological polar surface area
0.9637 Calculated LogP (Wildman–Crippen)
87.8428 cm³/molMolar refractivity (Wildman–Crippen)
7 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.

Molecular descriptor profile

Descriptor radar

Mol. weight LogP TPSA HBA HBD Rotatable 25 50 75 100

Structural feature counts

0 2 4 6 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C F 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 weight374.3963.53
Calculated LogP (Wildman–Crippen)0.963724.84
Topological polar surface area85.3862.12
Hydrogen-bond acceptors783.12
Hydrogen-bond donors011.28
Rotatable bonds (strict)560.59

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC15H19FN2O6Sdimensionless
Molecular weight374.39g/mol
Monoisotopic exact mass374.0948Da
Topological polar surface area85.38Ų
Calculated LogP (Wildman–Crippen)0.9637dimensionless
Molar refractivity (Wildman–Crippen)87.8428cm³/mol
Hydrogen-bond acceptors7count
Hydrogen-bond donors0count
Rotatable bonds (strict)5count
Heavy atoms25count
Heteroatoms10count
Rings3count
Aromatic rings1count
Aliphatic rings2count
Saturated rings2count
Aromatic heterocycles0count
Aliphatic heterocycles2count
Saturated heterocycles2count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.5333fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area144.726Ų
Valence electrons138count
Radical electrons0count
Bertz complexity750.3885index
Balaban J1.6893index

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 Linezolid Related Compound D

Qualification and safety assessment of Linezolid Related Compound D

Explore toxicological qualification of Linezolid Related Compound D and ICH M7 mutagenic impurity assessment of Linezolid Related Compound D for evaluation of this impurity in its pharmaceutical context.

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

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