CHEBI:36798 - dothiepin

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ChEBI Name dothiepin
ChEBI ID CHEBI:36798
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H21NS
Net Charge 0
Average Mass 295.44278
Monoisotopic Mass 295.13947
InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
InChIKey PHTUQLWOUWZIMZ-UHFFFAOYSA-N
SMILES [H]C(CCN(C)C)=C1c2ccccc2CSc2ccccc12
Roles Classification
Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dothiepin (CHEBI:36798) has role antidepressant (CHEBI:35469)
dothiepin (CHEBI:36798) is a dibenzothiepine (CHEBI:38924)
Incoming dothiepin hydrochloride (CHEBI:31519) has part dothiepin (CHEBI:36798)
cis-dothiepin (CHEBI:36802) is a dothiepin (CHEBI:36798)
trans-dothiepin (CHEBI:36803) is a dothiepin (CHEBI:36798)
IUPAC Name
3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
Synonyms Sources
3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine NIST Chemistry WebBook
dosulepin ChemIDplus
dothiepin ChemIDplus
N,N-dimethyldibenzo[b,e]thiepin-Δ11(6H),γ-propylamine NIST Chemistry WebBook
Manual Xref Database
LSM-3221 LINCS
View more database links
Registry Numbers Types Sources
113-53-1 CAS Registry Number NIST Chemistry WebBook
113-53-1 CAS Registry Number ChemIDplus
1348850 Beilstein Registry Number Beilstein
2031643 Gmelin Registry Number Gmelin
Last Modified
25 February 2016