dydrogesterone   Click here for help

GtoPdb Ligand ID: 2878

Synonyms: Duphaston®
Approved drug
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.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA-no information available-discontinued)
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
970 dydrogesterone
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 152-62-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1200853
DrugBank Ligand DB00378
DrugCentral Ligand 975
GtoPdb PubChem SID 135650214
PubChem CID 9051
Search Google for chemical match using the InChIKey JGMOKGBVKVMRFX-HQZYFCCVSA-N
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UniChem Compound Search for chemical match using the InChIKey JGMOKGBVKVMRFX-HQZYFCCVSA-N
UniChem Connectivity Search for chemical match using the InChIKey JGMOKGBVKVMRFX-HQZYFCCVSA-N
Wikipedia Dydrogesterone