testosterone   Click here for help

GtoPdb Ligand ID: 2858

Synonyms: Androderm® | Delatestryl®
Approved drug PDB Ligand
testosterone is an approved drug (FDA (1953))
Comment: Testosterone is the principal male sex hormone and an anabolic steroid.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 288.21
XLogP 3.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C
Isomeric SMILES O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChI Key MUMGGOZAMZWBJJ-DYKIIFRCSA-N
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1953))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
Prodrug testosterone propionatetestosterone phenylpropionatetestosterone isocaproatetestosterone decanoate
IUPAC Name Click here for help
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names Click here for help
INN number INN
1900 testosterone
Synonyms Click here for help
Androderm® | Delatestryl®
Database Links Click here for help
CAS Registry No. 58-22-0 (source: Scifinder)
ChEBI CHEBI:17347
ChEMBL Ligand CHEMBL386630
DrugBank Ligand DB00624
DrugCentral Ligand 2607
GtoPdb PubChem SID 135651576
PubChem CID 6013
RCSB PDB Ligand TES
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Wikipedia Testosterone

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Tocris
Testosterone
Cat. No. 2822