Molecular Identity
Disulfiram
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
PubChem CID: 3117
Disulfiram is an organic disulfide that results from the formal oxidative dimerisation of N,N-diethyldithiocarbamic acid. A multi-enzyme inhibitor that is used in alcohol aversion therapy and also exhibits anticancer properties. It has a role as a ferroptosis inducer, a fungicide, an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor, an antineoplastic agent, an EC 3.1.1.8 (cholinesterase) inhibitor, an angiogenesis inhibitor, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an apoptosis inducer, a NF-kappaB inhibitor and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is an organic disulfide and an organosulfur acaricide.
2D Structure
Properties
C10H20N2S4
Molecular Formula
296.50
Molecular Weight
g/mol
296.0509
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
201
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)C(=S)SSC(=S)N(CC)CCIsomeric SMILES
SMILES: CCN(CC)C(=S)SSC(=S)N(CC)CCSynonyms(20)
disulfiramTetraethylthiuram disulfide97-77-8AntabuseBis(diethylthiocarbamoyl) disulfideEsperalTeturamAlcophobinAntabusAnticolExhorranAbstinylAntadixAntietilAversan
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Disulfiram
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