Account TAK-875 Hemihydrate
- Catalog No. :
- ACFKGE662
- CAS No. :
- 1374598-80-7
- Molecular Formula :
- C58H66O15S2
- Molecular Weight :
- 1067.29
IUPAC Name:(S)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid hydrate
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Product Information
| Product Name | TAK-875 Hemihydrate |
|---|---|
| IUPAC Name | (S)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid hydrate |
| MDL No. | MFCD23102389 |
| Molecular Formula | C58H66O15S2 |
| Molecular Weight | 1067.29 |
| SMILES | CC1=C(C2=CC(COC3=CC=C4[C@H](CC(O)=O)COC4=C3)=CC=C2)C(C)=CC(OCCCS(C)(=O)=O)=C1.CC5=C(C6=CC(COC7=CC=C8[C@H](CC(O)=O)COC8=C7)=CC=C6)C(C)=CC(OCCCS(C)(=O)=O)=C5.[H]O[H] |
| InChI Key | OJXYMYYDAVXPIK-IWKNALKQSA-N |
| Synonym | CCG-270628 | 1374598-80-7 | FASIGLIFAM HYDRATE [JAN] | Fasiglifam hemihydrate | (3S)-6-((2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy) biphenyl-3-yl)methoxy)-2,3-dihydro-l-benzofuran-3-yl)acetic acid hemihydrate | FASIGLIFAM HYDRATE | Q27270716 | AKOS0254 |
| CAS No. | 1374598-80-7 |
| PubChem CID | 57339446 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACFKGE662 Molecular Building Block Synthetic Route
(S)-2-(6-((2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-
(R)-2-(6-((2,6-dimethyl-4-(3-(methylsulfonyl)propoxy)-[1,1-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid