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6-Methyl Risperidone

CAT: 0926-WDC60228-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-WDC60228-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346602-28-5
Smiles
CC1CCCC2=NC (=C (C (=O) N12) CCN3CCC (CC3) C4C5=C (C=C (C=C5) F) ON4) C
Molecular Formula
C24H29FN4O2
Molecular Weight
424.51 g/mol
Controlled
No

Chemical Information

6-Methylrisperidone
CAS Number1346602-28-5
PubChem CID71750574
IUPAC Name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC24H29FN4O2
Molecular Weight424.5
XLogP3.2
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity761
SMILES
CC1CCCC2=NC(=C(C(=O)N12)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
InChI
InChI=1S/C24H29FN4O2/c1-15-4-3-5-22-26-16(2)19(24(30)29(15)22)10-13-28-11-8-17(9-12-28)23-20-7-6-18(25)14-21(20)31-27-23/h6-7,14-15,17H,3-5,8-13H2,1-2H3
InChIKey
OGYZXUJCZWNPPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methylrisperidone
CAS: 1346602-28-5
CID: 71750574
Formula: C24H29FN4O2
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass424.22745434
Monoisotopic Mass424.22745434
Topological Polar Surface Area61.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity761
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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Alternative Products

CatalogName
0173426-Methyl Risperidone
4404499-Methyl Risperidone
282364-01Methyl 5,6,7,8-tetradehydro risperidone
271586-016-Desfluoro-6-hydroxy risperidone
sc-4994926-Desfluoro-6-methoxy risperidone
TRC-D455630-100MG3,6-Dihydro Risperidone
437229-015,6,7,8-Tetradehydro Risperidone
275294-013-Ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (risperidone impurity)
276304-013-[2-[4- (6-Fluoro-2-benzoxazolyl) -1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (risperidone impurity)
MBS6064671-01Methyl Risperidone (7-Methyl-5,6,7,8-tetradehydrorisperidone, 3-[2-[4- (6-fluoro-1,2-benzisoxazol-3-yl) -1-piperidinyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one)

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