OntologiesdronclassesCHEBI:36798   
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dothiepinImported
http://purl.obolibrary.org/obo/CHEBI_36798
Defined bychebi
Also appears inslm
Exact Synonyms
3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
dothiepin
Related Synonyms
3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine
dosulepin
N,N-dimethyldibenzo[b,e]thiepin-Delta(11(6H),gamma)-propylamine
class Information
charge

0

formula

C19H21NS

has_dbxref
  • Beilstein:1348850
  • CAS:113-53-1
  • Gmelin:2031643
  • LINCS:LSM-3221
has_obo_namespace

chebi_ontology

has_RxCUI

3634

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

in_subset

3_STAR

mass

295.44278

monoisotopicmass

295.13947

smiles

[H]C(CCN(C)C)=C1c2ccccc2CSc2ccccc12

class Relations