Preferred Name |
|
|
Synonyms |
[1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol Danocrine Cyclomen danazolum danazol |
|
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_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 |
|
smiles |
[H][C@@]12CCC3=Cc4oncc4C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#C |
|
subClassOf |