probucol   Click here for help

GtoPdb Ligand ID: 7277

Synonyms: DH-581 | Lorelco®
Approved drug
probucol is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Probucol is a lipid-lowering drug. Marketing of this drug was ceased in 1995 in the US due to safety concerns.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 91.06
Molecular weight 516.31
XLogP 11.13
No. Lipinski's rules broken 1
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Canonical SMILES CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
Isomeric SMILES CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
InChI InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1977))
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2928 probucol
Synonyms Click here for help
DH-581 | Lorelco®
Database Links Click here for help
CAS Registry No. 23288-49-5
DrugBank Ligand DB01599
DrugCentral Ligand 2269
GtoPdb PubChem SID 178103851
PubChem CID 4912
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UniChem Compound Search for chemical match using the InChIKey FYPMFJGVHOHGLL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FYPMFJGVHOHGLL-UHFFFAOYSA-N
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Probucol (links to external site)
Cat. No. 2775