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7-Hydroxy Risperidone

CAT: 0572-TRC-H953345-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H953345-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147663-04-5
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CC(O)CCC5=N1
Molecular Formula
C23 H27 F N4 O3
Molecular Weight
426.48
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
Additionnal Information
IUPAC name: 3-[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
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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

Related Products

CatalogName
TRC-H953355-10MG(R)-9-Hydroxy Risperidone
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TRC-D289970-2MG6-Desfluoro-6-hydroxy Risperidone
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Alternative Products

CatalogName
sc-2106197-Hydroxy Risperidone
CS-T-564447-Hydroxy Risperidone-d4
sc-488626(S) -9-Hydroxy risperidone
sc-488624(R) -9-Hydroxy Risperidone
279204-01S-9-Hydroxy risperidone
AR-R11056-01Risperidone Impurity 31 (7-Fluoro Risperidone)
AR-R11065-01Risperidone Impurity 7
0084196-Desfluoro-6-hydroxy Risperidone
HY-A0019BS-01(R) -9-Hydroxy Risperidone-d4
AR-R11067-01Risperidone Impurity 7 HCl

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