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Pharmaceutical impurity

Adenosine impurity 24

Adenosine impurity 24 is listed in the pharmaceutical impurity collection under CAS 141344-03-8. Its represented structure has formula C11H14N6O3 and a calculated molecular weight of 278.27 g/mol.

2D chemical structure

N N H 2 N N N H 2 N O H O O H ( R ) ( R ) ( S )

Chemical identity

Catalog name
Adenosine impurity 24
Common name
Adenosine impurity 24
Chemical name
(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methylideneoxolan-3-ol
CAS
141344-03-8
SMILES
C=C1[C@H](n2cnc3c(N)nc(N)nc32)O[C@H](CO)[C@H]1O
InChI
InChI=1S/C11H14N6O3/c1-4-7(19)5(2-18)20-10(4)17-3-14-6-8(12)15-11(13)16-9(6)17/h3,5,7,10,18-19H,1-2H2,(H4,12,13,15,16)/t5-,7+,10-/m1/s1
InChIKey
NOCJSDWFAHJQDY-NJUACVTBSA-N
Associated API
Adenosine

Record ID: A5b5203b87079

Computed properties

C11H14N6O3 Molecular formula
278.272 g/molMolecular weight
278.1127 DaMonoisotopic exact mass
145.33 ŲTopological polar surface area
-1.2025 Calculated LogP (Wildman–Crippen)
70.2904 cm³/molMolar refractivity (Wildman–Crippen)
8 countHydrogen-bond acceptors
4 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 3 6 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C 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 weight278.27237.64
Calculated LogP (Wildman–Crippen)-1.20256.63
Topological polar surface area145.3388.29
Hydrogen-bond acceptors887.87
Hydrogen-bond donors489.70
Rotatable bonds (strict)224.16

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC11H14N6O3dimensionless
Molecular weight278.272g/mol
Monoisotopic exact mass278.1127Da
Topological polar surface area145.33Ų
Calculated LogP (Wildman–Crippen)-1.2025dimensionless
Molar refractivity (Wildman–Crippen)70.2904cm³/mol
Hydrogen-bond acceptors8count
Hydrogen-bond donors4count
Rotatable bonds (strict)2count
Heavy atoms20count
Heteroatoms9count
Rings3count
Aromatic rings2count
Aliphatic rings1count
Saturated rings1count
Aromatic heterocycles2count
Aliphatic heterocycles1count
Saturated heterocycles1count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.3636fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters3count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area113.0672Ų
Valence electrons106count
Radical electrons0count
Bertz complexity684.0935index
Balaban J2.0949index

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 Adenosine impurity 24

Qualification and safety assessment of Adenosine impurity 24

Explore toxicological qualification of Adenosine impurity 24 and ICH M7 mutagenic impurity assessment of Adenosine impurity 24 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Adenosine impurity 24 and acceptable intake and limit justification for Adenosine impurity 24. 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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