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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
4
Total Number of Articles : 2
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| PubChem |
9973893
|
| Molecular Formula |
C17H14O5S |
| SMILES |
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2O)C3=CC=CC=C3 |
| InChI |
InChI=1S/C17H14O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,17,19H,1H3 |
| synonyms |
- 5-Hydroxy Vioxx
- 5-hydroxyrofecoxib
- 185147-17-5
- 8DJV9U9K61
- 5-HYDROXY ROFECOXIB
- Rofecoxib metabolite 5-hydroxyrofecoxib
- CHEMBL1084
- UNII-8DJV9U9K61
- J1.426.755G
- 2-hydroxy-3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
- 2(5H)-Furanone, 5-hydroxy-4-(4-(methylsulfonyl)phenyl)-3-phenyl-
- 5-Hydroxy-3-phenyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one
- SCHEMBL6331980
- DTXSID90433560
- 5-Hydroxy-4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone
- BDBM50094987
- AKOS030240475
- NS00116477
- J-011870
- Q27270230
- 5-Hydroxy-4-(4-methanesulfonyl-phenyl)-3-phenyl-5H-furan-2-one
- 5-Hydroxy-4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone; 5-Hydroxyrofecoxib;
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| Properties |
| Property |
Value |
| MW |
330.4 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
3 |
| Exact Mass |
330.05619472 g/mol |
| Monoisotopic Mass |
330.05619472 g/mol |
| Heavy Atom Count |
23 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
587 |
| xlogp |
1.7 |
| Topological Polar Surface Area |
89 |
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