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Molecule
Risperid
CAS: 106266-06-2 · C23H27FN4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106266-06-2
- Molecular Formula
- C23H27FN4O2
- Molecular Mass
- 410.49 g/mol
Identifiers
CAS Registry Number
106266-06-2
SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
InChI Key
RAPZEAPATHNIPO-UHFFFAOYSA-N
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
Names and Synonyms
- Risperid Synonym
- Risperidone Synonym
- 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- Synonym
- 1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv. Synonym
- 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 Synonym
- Risperidone Synonym
- R 64766 Synonym
- Risperdal Synonym
- Spiron Synonym
- Rispadal Synonym
- Risperidal Synonym
- Apexidone Synonym
- Psychodal Synonym
- Risperdal Consta Synonym
- Ripedon Synonym
- 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 Synonym
- Risperdine Synonym
- Zophrenal Synonym
- Risperid fort Synonym
- RBP 7000 Synonym
- Risperidone ACIS Synonym
- Risbiodal Synonym
- Rispa Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.49 g/mol | CAS Common Chemistry |
| 410.4930000000003 g/mol | RDKit | |
| 410.493 g/mol | RDKit | |
| 411.501 g/mol | chempirical lib | |
| 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 |
| 5 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 64.16 Ų | RDKit |
| 66.03 Ų | chempirical lib | |
| LogP | 3.5904200000000026 | RDKit |
| 3.5904 | RDKit | |
| Molar Refractivity | 112.25800000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5217 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 410.211804324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 410.49 g/mol. Edit any field — others recompute live.
