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6-Desfluoro-6-methoxy risperidone

CAT: 0024-sc-499492Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-499492Size:1 mg
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CAS Number
1246817-15-1

Chemical Information

6-Desfluoro-6-methoxy Risperidone
CAS Number1246817-15-1
PubChem CID71315667
IUPAC Name3-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC24H30N4O3
Molecular Weight422.5
XLogP2.6
Topological Polar Surface Area71.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity743
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)OC
InChI
InChI=1S/C24H30N4O3/c1-16-19(24(29)28-11-4-3-5-22(28)25-16)10-14-27-12-8-17(9-13-27)23-20-7-6-18(30-2)15-21(20)31-26-23/h6-7,15,17H,3-5,8-14H2,1-2H3
InChIKey
DGIQBNGKAIWZIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Desfluoro-6-methoxy Risperidone
CAS: 1246817-15-1
CID: 71315667
Formula: C24H30N4O3
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass422.23179083
Monoisotopic Mass422.23179083
Topological Polar Surface Area71.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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sc-204881ARisperidone
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sc-204881Risperidone
sc-204881BRisperidone
sc-218816Methyl 5,6,7,8-Tetradehydro Risperidone
sc-3448963-methoxy-6- (6-methoxy-3-pyridyl) pyridazine

Alternative Products

CatalogName
0084196-Desfluoro-6-hydroxy Risperidone
271585-01Desfluoro risperidone
TRC-M326330-50MG6-Methyl Risperidone
TRC-D455630-100MG3,6-Dihydro Risperidone
AR-R01702-015,6,7,8-Tetradehydro Risperidone
FM25447Methyl 5,6,7,8-tetradehydro risperidone
445849De (6-Fluoro-3- (piperidin-4-yl) benzo[d]isoxazole) 9-Hydroxy-1-chloro Risperidone-d4
TRC-D229337-25MGDe(6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole) 9-Hydroxy-1-chloro Risperidone-d4
0113593-Ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (Risperidone Impurity)
TRC-I384772-100MG(E)-1,5-seco-Isoxazolo,1H,5-(6-Fluoro-1,2-benzisoxazol-3-yl)-piperidin-1-yl] Risperidone

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