quinestrol   Click here for help

GtoPdb Ligand ID: 7097

Synonyms: Estrovis® | W-3566
Approved drug
quinestrol is an approved drug (FDA (date unknown))
Compound class: Synthetic organic
Comment: Quinestrol is a synthetic estrogen.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 29.46
Molecular weight 364.24
XLogP 5.83
No. Lipinski's rules broken 1
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Canonical SMILES C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC1CCCC1
Isomeric SMILES C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OC1CCCC1
InChI InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (date unknown))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1612 quinestrol
Synonyms Click here for help
Estrovis® | W-3566
Database Links Click here for help
CAS Registry No. 152-43-2
ChEMBL Ligand CHEMBL1201165
DrugBank Ligand DB04575
DrugCentral Ligand 2342
GtoPdb PubChem SID 178103675
PubChem CID 9046
Search Google for chemical match using the InChIKey PWZUUYSISTUNDW-VAFBSOEGSA-N
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UniChem Compound Search for chemical match using the InChIKey PWZUUYSISTUNDW-VAFBSOEGSA-N
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Wikipedia Quinestrol