CHEBI:31580 - ethynodiol diacetate

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ChEBI Name ethynodiol diacetate
ChEBI ID CHEBI:31580
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H32O4
Net Charge 0
Average Mass 384.50848
Monoisotopic Mass 384.230
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
SMILES [H][C@]12CC[C@H](OC(C)=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(OC(C)=O)C#C
Roles Classification
Application(s): 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.
contraceptive drug
A chemical substance that prevents or reduces the probability of conception.
synthetic oral contraceptive
An oral contraceptive which owes its effectiveness to synthetic preparation.
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ChEBI Ontology
Outgoing 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 Sources
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
3β, 17β-Diacetoxy-17α-ethynyl-4-oestrene ChemIDplus
3β,17β-Diacetoxy-19-nor-17α-pregn-4-en-20-yne ChemIDplus
Ethynodiol diacetate KEGG COMPOUND
Database Links Databases
1095 DrugCentral
C12724 KEGG COMPOUND
D01294 KEGG DRUG
DB00823 DrugBank
Ethynodiol_Diacetate Wikipedia
LMST02030124 LIPID MAPS
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Registry Numbers Types Sources
297-76-7 CAS Registry Number ChemIDplus
3040143 Beilstein Registry Number Beilstein
Last Modified
22 February 2017