ethylestrenol   

GtoPdb Ligand ID: 6948

Synonyms: Maxibolin® | Orabolin®
ethylestrenol is an approved drug (FDA (1964))
Compound class: Synthetic organic
Comment: This drug is an anabolic steroid, derived from nandrolone.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 20.23
Molecular weight 288.25
XLogP 6.09
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12
Isomeric SMILES CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@H]12
InChI InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChI Key AOXRBFRFYPMWLR-XGXHKTLJSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1964))
IUPAC Name
(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
International Nonproprietary Names
INN number INN
1107 ethylestrenol
Synonyms
Maxibolin® | Orabolin®
Database Links
CAS Registry No. 965-90-2 (source: SciFinder)
ChEMBL Ligand CHEMBL1200623
DrugBank Ligand DB01493
DrugCentral Ligand 1094
GtoPdb PubChem SID 178103530
PubChem CID 13765
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Wikipedia Ethylestrenol