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Risperidone
CAS: 106266-06-2 | C23H27FN4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106266-06-2
Molecular Formula:
C23H27FN4O2
Molecular Mass:
410.49 g/mol
Names and Synonyms:
Risperidone
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-
1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv.
3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Risperidone
R 64766
Risperdal
Spiron
Rispadal
Risperidal
Apexidone
Psychodal
Risperdal Consta
Ripedon
3-[2-[4-(6-Fluor-1,2-benzisoxazol-3-yl)piperidino]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-on
Risperdine
Zophrenal
Risperid fort
Risperid
RBP 7000
Risperidone ACIS
Risbiodal
Rispa
Identifiers:
SMILES:
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
InChI:
InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
Key Properties
Melting Point
170 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.49 g/mol | CAS Common Chemistry |
| 410.4930000000003 g/mol | RDKit | |
| 410.211804324 g/mol | RDKit | |
| Canonical SMILES | O=C1C(=C(N=C2N1CCCC2)C)CCN3CCC(C4=NOC=5C=C(F)C=CC54)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RAPZEAPATHNIPO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170 °C | CAS Common Chemistry |
| Name | Risperidone | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 64.16 Ų | RDKit |
| LogP | 3.5904200000000026 | RDKit |
| Molar Refractivity | 112.25800000000005 | RDKit |
