dienestrol   Click here for help

GtoPdb Ligand ID: 7160

Synonyms: Estraguard®
Approved drug
dienestrol is an approved drug
Compound class: Synthetic organic
Comment: Dienestrol is a synthetic, non-steroidal estrogen of the stilbestrol group. It is a close analogue of diethylstilbestrol.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 40.46
Molecular weight 266.13
XLogP 5.91
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC=C(C(=CC)c1ccc(cc1)O)c1ccc(cc1)O
Isomeric SMILES C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O
InChI InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
InChI Key NFDFQCUYFHCNBW-SCGPFSFSSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
International Nonproprietary Names Click here for help
INN number INN
1523 dienestrol
Synonyms Click here for help
Estraguard®
Database Links Click here for help
CAS Registry No. 84-17-3
ChEMBL Ligand CHEMBL1018
DrugBank Ligand DB00890
DrugCentral Ligand 870
GtoPdb PubChem SID 178103735
PubChem CID 667476
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Wikipedia Dienestrol