testosterone propionate   

GtoPdb Ligand ID: 7100

testosterone propionate is an approved drug (FDA (1974))
Comment: Testosterone propionate is an anabolic steroid. In vivo testosterone propionate is hydrolysed to testosterone which is the active compound.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 43.37
Molecular weight 344.24
XLogP 4.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C
Isomeric SMILES CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
InChI InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1
InChI Key PDMMFKSKQVNJMI-BLQWBTBKSA-N
Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1974))
Is prodrug? Yes
Active form testosterone
IUPAC Name
[(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] propanoate
Database Links
CAS Registry No. 57-85-2
ChEMBL Ligand CHEMBL1170
DrugBank Ligand DB01420
DrugCentral Ligand 4146
GtoPdb PubChem SID 178103678
PubChem CID 5995
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