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CHEBI:59642 - bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether
| Formula | C21H27ClO5 |
| Net Charge | 0 |
| Average Mass | 394.895 |
| Monoisotopic Mass | 394.15470 |
| SMILES | CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1 |
| InChI | InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3 |
| InChIKey | HDTYUHNZRYZEEB-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. |
| Application: | androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has functional parent bisphenol A (CHEBI:33216) |
| bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has functional parent glycerol (CHEBI:17754) |
| bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has role androgen antagonist (CHEBI:35497) |
| bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) is a diether (CHEBI:46786) |
| bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) is a organochlorine compound (CHEBI:36683) |
| IUPAC Name |
|---|
| 3-(4-{2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl}phenoxy)propane-1,2-diol |
| Synonym | Source |
|---|---|
| EPI-001 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Beilstein:11927168 | Beilstein |
| Citations |
|---|