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Pharmaceutical impurity

Ganciclovir EP Impurity C

Ganciclovir EP Impurity C is listed in the pharmaceutical impurity collection under CAS 108436-36-8. Its represented structure has formula C9H12ClN5O3 and a calculated molecular weight of 273.68 g/mol.

2D chemical structure

N H 2 N N N O H O C l O N H

Chemical identity

Catalog name
Ganciclovir EP Impurity C
Common name
Ganciclovir EP Impurity C
Chemical name
2-amino-9-[(1-chloro-3-hydroxypropan-2-yl)oxymethyl]-1H-purin-6-one
CAS
108436-36-8
SMILES
Nc1nc2c(ncn2COC(CO)CCl)c(=O)[nH]1
InChI
InChI=1S/C9H12ClN5O3/c10-1-5(2-16)18-4-15-3-12-6-7(15)13-9(11)14-8(6)17/h3,5,16H,1-2,4H2,(H3,11,13,14,17)
InChIKey
FQZPLTGJIGCMPY-UHFFFAOYSA-N
Associated API
Ganciclovir

Record ID: A6e27f09af894

Computed properties

C9H12ClN5O3 Molecular formula
273.68 g/molMolecular weight
273.0629 DaMonoisotopic exact mass
119.05 ŲTopological polar surface area
-0.7244 Calculated LogP (Wildman–Crippen)
65.2399 cm³/molMolar refractivity (Wildman–Crippen)
6 countHydrogen-bond acceptors
3 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 6 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C Cl 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 weight273.6836.38
Calculated LogP (Wildman–Crippen)-0.72449.04
Topological polar surface area119.0581.41
Hydrogen-bond acceptors675.83
Hydrogen-bond donors381.39
Rotatable bonds (strict)560.59

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC9H12ClN5O3dimensionless
Molecular weight273.68g/mol
Monoisotopic exact mass273.0629Da
Topological polar surface area119.05Ų
Calculated LogP (Wildman–Crippen)-0.7244dimensionless
Molar refractivity (Wildman–Crippen)65.2399cm³/mol
Hydrogen-bond acceptors6count
Hydrogen-bond donors3count
Rotatable bonds (strict)5count
Heavy atoms18count
Heteroatoms9count
Rings2count
Aromatic rings2count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles2count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.4444fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters1count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area106.3634Ų
Valence electrons98count
Radical electrons0count
Bertz complexity591.3909index
Balaban J2.2652index

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 Ganciclovir EP Impurity C

Qualification and safety assessment of Ganciclovir EP Impurity C

Explore toxicological qualification of Ganciclovir EP Impurity C and ICH M7 mutagenic impurity assessment of Ganciclovir EP Impurity C for evaluation of this impurity in its pharmaceutical context.

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