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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | drospirenone | |
| Synonyms |
1,2-Dihydrospirorenone drospirenone drospirenonum drospirenona Dehydrospirorenone 6beta,7beta;15beta,16beta-Dimethylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone 3-oxo-6alpha,7alpha,15alpha,16alpha-tetrahydro-7'H,16'H-dicyclopropa[6,7;15,16]-17alpha-pregn-4-ene-21,17-carbolactone |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50838 |
|
| charge |
0
|
|
| database_cross_reference |
Beilstein:4765500 DrugBank:DB01395 CAS:67392-87-4 KEGG:D03917 Drug_Central:968 Wikipedia:Drospirenone Patent:DE2652761 Patent:US4129564
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|
| formula |
C24H30O3
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_59826 |
|
| has_exact_synonym |
3-oxo-6alpha,7alpha,15alpha,16alpha-tetrahydro-7'H,16'H-dicyclopropa[6,7;15,16]-17alpha-pregn-4-ene-21,17-carbolactone
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1,2-Dihydrospirorenone drospirenone drospirenonum drospirenona Dehydrospirorenone 6beta,7beta;15beta,16beta-Dimethylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
|
|
| id |
CHEBI:50838
|
|
| in_subset | ||
| inchi |
InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
|
|
| inchikey |
METQSPRSQINEEU-HXCATZOESA-N
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|
| label |
drospirenone
|
|
| mass |
366.49320
|
|
| monoisotopicmass |
366.21949
|
|
| notation |
CHEBI:50838
|
|
| prefLabel |
drospirenone
|
|
| smiles |
[H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H]4C[C@@H]4[C@@]33CCC(=O)O3)[C@]1([H])[C@H]1C[C@H]1C1=CC(=O)CC[C@]21C
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| treeView | ||
| subClassOf |
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