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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | danazol | |
| Synonyms |
Danocrine Cyclomen danazolum danazol [1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4315 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:34462405 PMID:17929794 Chemspider:26436 PMID:24134630 Beilstein:4851114 PMID:18834112 Patent:US3135743 Wikipedia:Danazol CAS:17230-88-5 KEGG:D00289 Drug_Central:779 DrugBank:DB01406 Patent:GB905844 PMID:27626530
|
|
| formula |
C22H27NO2
|
|
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_176497 |
|
| has_alternative_id |
CHEBI:554019 CHEBI:505364
|
|
| has_exact_synonym |
[1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Danocrine Cyclomen danazolum danazol
|
|
| id |
CHEBI:4315
|
|
| in_subset | ||
| 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
|
|
| label |
danazol
|
|
| mass |
337.45532
|
|
| monoisotopicmass |
337.20418
|
|
| notation |
CHEBI:4315
|
|
| prefLabel |
danazol
|
|
| smiles |
[H][C@@]12CCC3=Cc4oncc4C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#C
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| treeView | ||
| subClassOf |
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