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CHEBI:31580 - ethynodiol diacetate
| Formula | C24H32O4 |
| Net Charge | 0 |
| Average Mass | 384.516 |
| Monoisotopic Mass | 384.23006 |
| SMILES | [H][C@@]12CCC3=C[C@@H](OC(C)=O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C#C)OC(C)=O |
| InChI | InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1 |
| InChIKey | ONKUMRGIYFNPJW-KIEAKMPYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Applications: | contraceptive drug A chemical substance that prevents or reduces the probability of conception. estrogen receptor modulator A substance that possess antiestrogenic actions but can also produce estrogenic effects as well. It acts as complete or partial agonist or as antagonist. It can be either steroidal or nonsteroidal in structure. synthetic oral contraceptive An oral contraceptive which owes its effectiveness to synthetic preparation. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ethynodiol diacetate (CHEBI:31580) has functional parent ethynodiol (CHEBI:50785) |
| ethynodiol diacetate (CHEBI:31580) has role contraceptive drug (CHEBI:49323) |
| ethynodiol diacetate (CHEBI:31580) has role estrogen receptor modulator (CHEBI:50739) |
| ethynodiol diacetate (CHEBI:31580) has role synthetic oral contraceptive (CHEBI:49326) |
| ethynodiol diacetate (CHEBI:31580) is a steroid ester (CHEBI:47880) |
| ethynodiol diacetate (CHEBI:31580) is a terminal acetylenic compound (CHEBI:73477) |
| IUPAC Names |
|---|
| (3β,17β)-17-ethynylestr-4-ene-3,17-diyl diacetate |
| 17α-ethynylestr-4-ene-3β,17β-diyl diacetate |
| Synonyms | Source |
|---|---|
| Ethynodiol diacetate | KEGG COMPOUND |
| 17α-Ethynyl-19-norandrost-4-ene-3β,17-beta-diol diacetate | ChemIDplus |
| 17α-Ethynyl-3,17-dihydroxy-4-estrene diacetate | ChemIDplus |
| 17α-Ethynyl-4-estrene-3β,17β-diol diacetate | ChemIDplus |
| 17α-Ethynylestr-4-ene-3β,17β-diol acetate | ChemIDplus |
| 19-Nor-17α-pregn-4-en-20-yne-3β,17-diol diacetate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C12724 | KEGG COMPOUND |
| DB00823 | DrugBank |
| D01294 | KEGG DRUG |
| LMST02030124 | LIPID MAPS |
| Ethynodiol_Diacetate | Wikipedia |
| 1095 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3040143 | Beilstein |
| CAS:297-76-7 | ChemIDplus |