testosterone phenylpropionate   Click here for help

GtoPdb Ligand ID: 7628

Synonyms: testosterone 17-phenylpropionate | testosterone hydrocinnamate
Approved drug
testosterone phenylpropionate is an approved drug
Compound class: Synthetic organic
Comment: Testosterone phenylpropionate is a testosterone ester with improved bioavailability and metabolic half life compared to the endogenous hormone.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 43.37
Molecular weight 420.27
XLogP 6.07
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)CCc1ccccc1
Isomeric SMILES O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CCc1ccccc1
InChI InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1
InChI Key HHSXYDOROIURIP-FEZCWRLCSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
Is prodrug? Yes
Active form testosterone
IUPAC Name Click here for help
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
Synonyms Click here for help
testosterone 17-phenylpropionate | testosterone hydrocinnamate
Database Links Click here for help
CAS Registry No. 1255-49-8
ChEMBL Ligand CHEMBL2356993
GtoPdb PubChem SID 223365963
PubChem CID 14743
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