dydrogesterone   

GtoPdb Ligand ID: 2878

Synonyms: Duphaston®
dydrogesterone is an approved drug (FDA-no information available-discontinued)
Compound class: Synthetic organic
Comment: Dydrogesterone is a synthetic progestogen with no androgenic or estrogenic properties which unusually does not inhibit ovulation.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 34.14
Molecular weight 312.21
XLogP 4.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CCC2(C(=C1)C=CC1C2CCC2(C1CCC2C(=O)C)C)C
Isomeric SMILES O=C1CC[C@@]2(C(=C1)C=C[C@@H]1[C@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
InChI Key JGMOKGBVKVMRFX-HQZYFCCVSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA-no information available-discontinued)
IUPAC Name
(8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names
INN number INN
970 dydrogesterone
Synonyms
Duphaston®
Database Links
CAS Registry No. 152-62-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1200853
DrugBank Ligand DB00378
DrugCentral Ligand 975
GtoPdb PubChem SID 135650214
PubChem CID 9051
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Wikipedia Dydrogesterone