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API & reference standards

9-Hydroxyrisperidone

9-Hydroxyrisperidone is listed in the API and reference-standard collection under CAS 144598-75-4. Its represented structure has formula C23H27FN4O3 and a calculated molecular weight of 426.49 g/mol.

2D chemical structure

N N O N N O F O H

Chemical identity

Catalog name
9-Hydroxyrisperidone
Common name
9-Hydroxyrisperidone
Chemical name
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CAS
144598-75-4
SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O
InChI
InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
InChIKey
PMXMIIMHBWHSKN-UHFFFAOYSA-N
Associated API
Risperidone; Paliperidone | Paliperidone; Risperidone

Record ID: A96a1f4d9b609

Computed properties

C23H27FN4O3 Molecular formula
426.492 g/molMolecular weight
426.2067 DaMonoisotopic exact mass
84.39 ŲTopological polar surface area
3.0813 Calculated LogP (Wildman–Crippen)
113.5138 cm³/molMolar refractivity (Wildman–Crippen)
6 countHydrogen-bond acceptors
1 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 F H N O 0 6 12 18 24 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 weight426.49274.80
Calculated LogP (Wildman–Crippen)3.081363.42
Topological polar surface area84.3961.47
Hydrogen-bond acceptors675.83
Hydrogen-bond donors138.08
Rotatable bonds (strict)449.39

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC23H27FN4O3dimensionless
Molecular weight426.492g/mol
Monoisotopic exact mass426.2067Da
Topological polar surface area84.39Ų
Calculated LogP (Wildman–Crippen)3.0813dimensionless
Molar refractivity (Wildman–Crippen)113.5138cm³/mol
Hydrogen-bond acceptors6count
Hydrogen-bond donors1count
Rotatable bonds (strict)4count
Heavy atoms31count
Heteroatoms8count
Rings5count
Aromatic rings3count
Aliphatic rings2count
Saturated rings1count
Aromatic heterocycles2count
Aliphatic heterocycles2count
Saturated heterocycles1count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.5217fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters1count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area179.0335Ų
Valence electrons164count
Radical electrons0count
Bertz complexity1,163.5734index
Balaban J1.2397index

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 9-Hydroxyrisperidone

PDE, HBEL and impurity assessment for 9-Hydroxyrisperidone

For a substance-specific assessment, request a PDE report for 9-Hydroxyrisperidone or explore HBEL derivation for 9-Hydroxyrisperidone. These services address exposure limits using toxicological evidence and the intended use of the substance.

For pharmaceutical development, explore prediction of degradation products of 9-Hydroxyrisperidone and qualification of impurities related to 9-Hydroxyrisperidone.

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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