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Molecule
Silodosin
CAS: 160970-54-7 · C25H32F3N3O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 160970-54-7
- Molecular Formula
- C25H32F3N3O4
- Molecular Mass
- 495.54 g/mol
Identifiers
CAS Registry Number
160970-54-7
SMILES
C[C@H](Cc1cc2c(c(C(=N)O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F
InChI Key
PNCPYILNMDWPEY-QGZVFWFLSA-N
InChI
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
Names and Synonyms
- Silodosin Synonym
- 1H-Indole-7-carboxamide, 2,3-dihydro-1-(3-hydroxypropyl)-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]- Synonym
- 1H-Indole-7-carboxamide, 2,3-dihydro-1-(3-hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-, (R)- Synonym
- 2,3-Dihydro-1-(3-hydroxypropyl)-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carboxamide Synonym
- KMD 3213 Synonym
- Silodosin Synonym
- (R)-1-(3-Hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]indoline-7-carboxamide Synonym
- KAD 3213 Synonym
- Urief Synonym
- Rapaflo Synonym
- Rapallo Synonym
- (R)-1-(3-Hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethy l]amino]propyl]indoline-7-carboxamide Synonym
- 1-(3-Hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide Synonym
- Urorec Synonym
- Silodyx Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 495.54 g/mol | CAS Common Chemistry |
| 495.5420000000002 g/mol | RDKit | |
| 495.542 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC(=CC2=C1N(CC2)CCCO)CC(NCCOC=3C=CC=CC3OCC(F)(F)F)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PNCPYILNMDWPEY-QGZVFWFLSA-N | CAS Common Chemistry |
| Name | Silodosin | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 98.04 Ų | RDKit |
| LogP | 3.855570000000003 | RDKit |
| 3.8556 | RDKit | |
| Molar Refractivity | 128.17500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.48 | RDKit |
| Exact Mass | 495.2344911639999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 495.54 g/mol. Edit any field — others recompute live.
