dithiadene (CHEBI:167625)

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ChEBI Name	dithiadene

ChEBI ID	CHEBI:167625

Definition	An organic heterotricyclic compound that is 4,9-dihydrothieno[2,3-c][2]benzothiepine substituted by a 3-(dimethylamino)propylidene group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H19NS2

Net Charge

Average Mass

301.470

Monoisotopic Mass

301.09589

InChI

InChI=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

InChIKey

ZLJLUTCIUOCIQM-UHFFFAOYSA-N

SMILES

[H]C(CCN(C)C)=C1C2=C(SC=C2)SCC2=C1C=CC=C2

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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.

Application(s):	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. anti-allergic agent A drug used to treat allergic reactions. 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. 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.

ChEBI Ontology
Outgoing	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	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	Sources
N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine	ChEBI
N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidene-1-propanamine	ChEBI
N,N-Dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropylamine	ChemIDplus

Registry Number	Type	Source
5802-61-9	CAS Registry Number	ChemIDplus

Last Modified

27 April 2022

General Comment
2021-03-09	This is the entry for material with unspecified stereochemistry.