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Silodosin
CAS: 160970-54-7 | C25H32F3N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
160970-54-7
Molecular Formula:
C25H32F3N3O4
Molecular Mass:
495.54 g/mol
Names and Synonyms:
Silodosin
1H-Indole-7-carboxamide, 2,3-dihydro-1-(3-hydroxypropyl)-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-
1H-Indole-7-carboxamide, 2,3-dihydro-1-(3-hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-, (R)-
2,3-Dihydro-1-(3-hydroxypropyl)-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carboxamide
KMD 3213
Silodosin
(R)-1-(3-Hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]indoline-7-carboxamide
KAD 3213
Urief
Rapaflo
Rapallo
(R)-1-(3-Hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethy l]amino]propyl]indoline-7-carboxamide
1-(3-Hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
Urorec
Silodyx
Identifiers:
SMILES:
C[C@H](Cc1cc2c(c(C(=N)O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F
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
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 | 495.54 g/mol | CAS Common Chemistry |
| 495.5420000000002 g/mol | RDKit | |
| 495.2344911639999 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 |
| Molar Refractivity | 128.17500000000004 | RDKit |
