(S)-(+)-Ibuprofen D3
Modify Date: 2025-08-25 11:45:10
(S)-(+)-Ibuprofen D3 structure
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Common Name | (S)-(+)-Ibuprofen D3 | ||
|---|---|---|---|---|
| CAS Number | 1329643-44-8 | Molecular Weight | 209.299 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 319.6±11.0 °C at 760 mmHg | |
| Molecular Formula | C13H15D3O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 216.7±14.4 °C | |
Use of (S)-(+)-Ibuprofen D3(S)-(+)-Ibuprofen D3 ((S)-Ibuprofen D3) is a deuterium labeled (S)-(+)-Ibuprofen. (S)-(+)-Ibuprofen is the S(+)-enantiomer of Ibuprofen that inhibits COX-1 and COX-2 activity with IC50s of 2.1 μM and 1.6 μM. (S)-(+)-Ibuprofen has analgesic, antiinflammatory and antipyretic effects[1][2]. |
| Name | (2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid |
|---|---|
| Synonym | More Synonyms |
| Description | (S)-(+)-Ibuprofen D3 ((S)-Ibuprofen D3) is a deuterium labeled (S)-(+)-Ibuprofen. (S)-(+)-Ibuprofen is the S(+)-enantiomer of Ibuprofen that inhibits COX-1 and COX-2 activity with IC50s of 2.1 μM and 1.6 μM. (S)-(+)-Ibuprofen has analgesic, antiinflammatory and antipyretic effects[1][2]. |
|---|---|
| Related Catalog | |
| Target |
COX-1:2.1 μM (IC50) COX-2:1.6 μM (IC50) |
| References |
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 319.6±11.0 °C at 760 mmHg |
| Molecular Formula | C13H15D3O2 |
| Molecular Weight | 209.299 |
| Flash Point | 216.7±14.4 °C |
| Exact Mass | 209.149506 |
| LogP | 3.72 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.519 |
| InChIKey | HEFNNWSXXWATRW-PCXQMPHHSA-N |
| SMILES | CC(C)Cc1ccc(C(C)C(=O)O)cc1 |
| (2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid |
| Benzeneacetic acid, α-(methyl-d3)-4-(2-methylpropyl)-, (αS)- |