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9-Methyl risperidone

CAT: 0926-NFA27101-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-NFA27101-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138271-01-9
Smiles
CC1CCCN2C1=NC (=C (C2=O) CCN3CCC (CC3) C4=NOC5=C4C=CC (=C5) F) C
Molecular Formula
C24H29FN4O2
Molecular Weight
424.5 g/mol
Controlled
No

Chemical Information

9-Methyl Risperidone
CAS Number138271-01-9
PubChem CID18995814
IUPAC Name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC24H29FN4O2
Molecular Weight424.5
XLogP3.3
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity761
SMILES
CC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
InChI
InChI=1S/C24H29FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h5-6,14-15,17H,3-4,7-13H2,1-2H3
InChIKey
OGKVOAADDLBBTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Methyl Risperidone
CAS: 138271-01-9
CID: 18995814
Formula: C24H29FN4O2
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP33.3
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
4404499-Methyl Risperidone
281093-019-Keto risperidone
166329Risperidone 9-Ethylidenecarboxylate
AR-R11034-01Risperidone Impurity 9
TRC-M326330-5MG6-Methyl Risperidone
50R-R764779-OH Risperidone (powder)
464735-01Risperidone 9-Ethylidenecarboxylate Hydrochloride
TRC-K215300-5MG9-Keto Risperidone (90%)
TRC-H953355-10MG(R)-9-Hydroxy Risperidone
TRC-H953360-1MG(S)-9-Hydroxy Risperidone

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