gestodene   Click here for help

GtoPdb Ligand ID: 11246

Synonyms: Femodene® (ethinylestradiol, gestodene) | Millinette® (ethinylestradiol, gestodene) | SH-B-331
Approved drug
gestodene is an approved drug (UK (1998))
Compound class: Synthetic organic
Comment: Gestodene is a progestin that is present in combined oral contraceptives and hormone replacement therapies used to manage menopausal symptoms.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 310.19
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C#C[C@]1(O)C=C[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
Isomeric SMILES C#C[C@]1(O)C=C[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
InChI InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChI Key SIGSPDASOTUPFS-XUDSTZEESA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (1998))
Synonyms Click here for help
Femodene® (ethinylestradiol, gestodene) | Millinette® (ethinylestradiol, gestodene) | SH-B-331
Database Links Click here for help
BindingDB Ligand 50247973
CAS Registry No. 60282-87-3 (source: ChemIDplus)
ChEMBL Ligand CHEMBL1213583
DrugBank Ligand DB06730
DrugCentral Ligand 1291
GtoPdb PubChem SID 434122306
PubChem CID 3033968
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