disulfiram   Click here for help

GtoPdb Ligand ID: 7168

Synonyms: Antabuse® | NSC-25953
Approved drug
disulfiram is an approved drug (FDA (1951))
Compound class: Synthetic organic
Comment: Disulfiram inhibits acetaldehyde dehydrogenase to expedite acetaldehyde accumulation and rapid onset (within 5-10 minutes of alcohol intake) of the unpleasant effects typical of a hangover.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 121.26
Molecular weight 296.05
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(C(=S)SSC(=S)N(CC)CC)CC
Isomeric SMILES CCN(C(=S)SSC(=S)N(CC)CC)CC
InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChI Key AUZONCFQVSMFAP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1951))
IUPAC Name Click here for help
N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide
International Nonproprietary Names Click here for help
INN number INN
1781 disulfiram
Synonyms Click here for help
Antabuse® | NSC-25953
Database Links Click here for help
CAS Registry No. 97-77-8
ChEMBL Ligand CHEMBL964
DrugBank Ligand DB00822
DrugCentral Ligand 928
GtoPdb PubChem SID 178103743
PubChem CID 3117
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Wikipedia Disulfiram

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Tocris
Disulfiram
Cat. No. 3807