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7-Hydroxyrisperidone

CAT: 0804-HY-138176-02Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138176-02Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
7-Hydroxyrisperidone (7-RispOH) is a metabolite of Risperidone. Risperidone is a serotonin 5-HT2 receptor blocker, P-Glycoprotein inhibitor and potent dopamine D2 receptor antagonist[1][2].
CAS Number
147663-04-5
Product Name Alternative
7-RispOH
UNSPSC
12352005
Target
Drug Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Smiles
O=C1C(CCN2CCC(CC2)C3=NOC4=C3C=CC(F)=C4)=C(C)N=C5N1CC(CC5)O
Molecular Formula
C23H27FN4O3
Molecular Weight
426.48
References & Citations
[1]Liana I de Jesus, et al. Enantioselective fungal biotransformation of risperidone in liquid culture medium by capillary electrophoresis and hollow fiber liquid-phase microextraction. Electrophoresis. 2011 Oct;32 (19) :2765-75. |[2]Nyberg S, et al. 5-HT2 and D2 dopamine receptor occupancy in the living human brain. A PET study with risperidone. Psychopharmacology (Berl) . 1993;110 (3) :265-72.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

9-OH-risperidone

7-Hydroxyrisperidone is a pyridopyrimidine.

CAS Number147663-04-5
PubChem CID475100
IUPAC Name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC23H27FN4O3
Molecular Weight426.5
XLogP1.7
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity764
SMILES
CC1=C(C(=O)N2CC(CCC2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
InChI
InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3
InChIKey
ABWPQNZPAOAQSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-OH-risperidone
CAS: 147663-04-5
CID: 475100
Formula: C23H27FN4O3
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass426.20671890
Monoisotopic Mass426.20671890
Topological Polar Surface Area82.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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