methyltestosterone   

GtoPdb Ligand ID: 6945

Synonyms: 17-methyltestosterone
Compound class: Synthetic organic
Comment: Methyltestosterone is a synthetic anabolic steroid used for treating men with testosterone deficiency or similar androgen replacement therapies.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 302.22
XLogP 4.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C
Isomeric SMILES O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
InChI InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
InChI Key GCKMFJBGXUYNAG-HLXURNFRSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
International Nonproprietary Names
INN number INN
399 methyltestosterone
Synonyms
17-methyltestosterone
Database Links
CAS Registry No. 58-18-4
ChEMBL Ligand CHEMBL1395
DrugBank Ligand DB06710
DrugCentral Ligand 3356
GtoPdb PubChem SID 178103527
PubChem CID 6010
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Wikipedia Methyltestosterone