testolactone   Click here for help

GtoPdb Ligand ID: 7303

Synonyms: SQ-9538 | Teslac®
Approved drug
testolactone is an approved drug (FDA (1969))
Compound class: Synthetic organic
Comment: Testolactone is a progestin.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 43.37
Molecular weight 300.17
XLogP 3.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC(=O)O2)C)C
Isomeric SMILES O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)O2)C)C
InChI InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
InChI Key BPEWUONYVDABNZ-DZBHQSCQSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1969))
Withdrawn drug? Yes
IUPAC Name Click here for help
(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
International Nonproprietary Names Click here for help
INN number INN
1839 testolactone
Synonyms Click here for help
SQ-9538 | Teslac®
Database Links Click here for help
CAS Registry No. 968-93-4
ChEMBL Ligand CHEMBL1571
DrugBank Ligand DB00894
DrugCentral Ligand 2606
GtoPdb PubChem SID 178103876
PubChem CID 13769
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Wikipedia Testolactone