CHEBI:167625 - dithiadene

ChEBI IDCHEBI:167625
ChEBI Namedithiadene
Stars
DefinitionAn organic heterotricyclic compound that is 4,9-dihydrothieno[2,3-c][2]benzothiepine substituted by a 3-(dimethylamino)propylidene group at position 4.
Last Modified27 April 2022
SubmitterAdnan
DownloadsMolfile
FormulaC17H19NS2
Net Charge0
Average Mass301.480
Monoisotopic Mass301.09589
SMILES[H]C(CCN(C)C)=C1c2ccccc2CSc2sccc21
InChIInChI=1S/C17H19NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-9,11H,5,10,12H2,1-2H3
InChIKeyZLJLUTCIUOCIQM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
Applications:
antiemetic  A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
anti-allergic agent  A drug used to treat allergic reactions.
ChEBI Ontology
Outgoing Relation(s)
dithiadene (CHEBI:167625) has role anti-allergic agent (CHEBI:50857)
dithiadene (CHEBI:167625) has role antiemetic (CHEBI:50919)
dithiadene (CHEBI:167625) has role H1-receptor antagonist (CHEBI:37955)
dithiadene (CHEBI:167625) has role platelet aggregation inhibitor (CHEBI:50427)
dithiadene (CHEBI:167625) is a olefinic compound (CHEBI:78840)
dithiadene (CHEBI:167625) is a organic heterotricyclic compound (CHEBI:26979)
dithiadene (CHEBI:167625) is a organosulfur heterocyclic compound (CHEBI:38106)
dithiadene (CHEBI:167625) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
cis-bisulepin (CHEBI:167624) is a dithiadene (CHEBI:167625)
trans-bisulepin (CHEBI:135277) is a dithiadene (CHEBI:167625)
IUPAC Name 
N,N-dimethyl-3-(thieno[2,3-c][2]benzothiepin-4(9H)-ylidene)propan-1-amine
Synonyms  Source
N,N-Dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropylamineChemIDplus
N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amineChEBI
N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidene-1-propanamineChEBI
Manual XrefsDatabases
64022ChemSpider
Registry NumbersSources
CAS:5802-61-9ChemIDplus
Citations