Raloxifene
Raloxifene Structure
Systematic / IUPAC Name: [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone
ID: Reference2926
Other Names:
Keoxifene;
Ral;
Raloxifenum;
(2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone;
(6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone
; more
Formula: C28H27NO4S
Class: Therapeutics/Prescription Drugs Sports Doping Drugs
Spectral Data
Raloxifene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 341 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 7/24/2015 7:04:32 AM |
Identificators
| InChI | InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 |
| InChI Key | GZUITABIAKMVPG-UHFFFAOYSA-N |
| Canonical SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
| CAS | 82640048 |
| Splash | |
| Other Names |
Keoxifene; Ral; Raloxifenum; (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone; (6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone; [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone; [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone; Methanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-; Evista |
In Other Databases
| ChEBI | CHEBI:8772 |
| KEGG | C07228; D08465 |
| ChemIDPlus | 084449901 |
| HMDb | HMDB14624 |
| PubChem | 5035 |
| Wikipedia | Raloxifene |
| ChemSpider | 4859 |
| DrugBank | DB00481 |