CHEBI:4315 - danazol

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ChEBI Name danazol
ChEBI ID CHEBI:4315
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:505364, CHEBI:554019
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Formula C22H27NO2
Net Charge 0
Average Mass 337.45532
Monoisotopic Mass 337.204
InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
InChIKey POZRVZJJTULAOH-LHZXLZLDSA-N
SMILES [H][C@@]12CCC3=Cc4oncc4C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#C
Roles Classification
Biological Role(s): estrogen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
Application(s): anti-estrogen
A drug which acts to reduce estrogenic activity in the body, either by reducing the amount of estrogen or by reducing the activity of whatever estrogen is present.
estrogen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
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ChEBI Ontology
Outgoing danazol (CHEBI:4315) has parent hydride pregnane (CHEBI:8386)
danazol (CHEBI:4315) has role anti-estrogen (CHEBI:50751)
danazol (CHEBI:4315) has role estrogen antagonist (CHEBI:50837)
danazol (CHEBI:4315) is a 17β-hydroxy steroid (CHEBI:35343)
danazol (CHEBI:4315) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
[1,2]oxazolo[4',5':2,3]-17α-pregn-4-en-20-yn-17-ol
INNs Sources
danazol KEGG DRUG
danazolum ChemIDplus
Brand Names Sources
Cyclomen DrugBank
Danocrine DrugBank
Database Links Databases
779 DrugCentral
D00289 KEGG DRUG
Danazol Wikipedia
DB01406 DrugBank
GB905844 Patent
US3135743 Patent
View more database links
Registry Numbers Types Sources
17230-88-5 CAS Registry Number ChemIDplus
4851114 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17929794 PubMed citation ChEMBL
18834112 PubMed citation ChEMBL
Last Modified
22 February 2017