tibolone   Click here for help

GtoPdb Ligand ID: 9711

Synonyms: Boltin | Livial | Org OD 14 | Tibofem
Approved drug
tibolone is an approved drug (EMA (2013))
Compound class: Synthetic organic
Comment: Tibolone is a synthetic anabolic steroid with estrogenic, androgenic and progestagenic activities.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 312.21
XLogP 2.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES C#CC1(O)CCC2C1(C)CCC1C2C(C)CC2=C1CCC(=O)C2
Isomeric SMILES C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](C)CC2=C1CCC(=O)C2
InChI InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
InChI Key WZDGZWOAQTVYBX-XOINTXKNSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2013))
IUPAC Name Click here for help
(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names Click here for help
INN number INN
2777 tibolone
Synonyms Click here for help
Boltin | Livial | Org OD 14 | Tibofem
Database Links Click here for help
CAS Registry No. 5630-53-5
DrugCentral Ligand 2655
GtoPdb PubChem SID 348353670
PubChem CID 444008
Search Google for chemical match using the InChIKey WZDGZWOAQTVYBX-XOINTXKNSA-N
Search Google for chemicals with the same backbone WZDGZWOAQTVYBX
Search PubMed clinical trials tibolone
Search PubMed titles tibolone
Search PubMed titles/abstracts tibolone
Search UniChem for chemical match using the InChIKey WZDGZWOAQTVYBX-XOINTXKNSA-N
Search UniChem for chemicals with the same backbone WZDGZWOAQTVYBX