for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Raloxifene-d4 is a deuterated Raloxifene, a nonsteroidal estrogen receptor mixed antagonist/agonist.
| Sourires canoniques | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
|---|---|
| IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethoxy)phenyl]methanone |
| InChIKey | GZUITABIAKMVPG-RZOBCMOLSA-N |
| 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/i16D2,17D2 |
| Isomères SMILES | [2H]C([2H])(C([2H])([2H])OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)N5CCCCC5 |
| PubChem CID | 25217190 |
| Poids moléculaire | 477.61 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | 3-aroylthiophenes 1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Piperidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - 3-aroylthiophene - 1-benzothiophene - Benzothiophene - Phenoxy compound - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Solubilité | Soluble in DMF and Methanol |
|---|---|
| Point de fusion (°C) | 134-136°C (lit.) |
| Poids moléculaire | 477.600 g/mol |
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 477.191 Da |
| Monoisotopic Mass | 477.191 Da |
| Topological Polar Surface Area | 98.200 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 655.000 |
| Isotope Atom Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
