Dothiepin

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Systematic / IUPAC Name: (3Z)-3-(Dibenzo[b,e]thiepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine

ID: Reference706

Other Names: 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin;
3-(6,11-Dihydrodibenzo(b,e)thiepin-11-yliden)-N,N-dimethylpropylamin;
Propylamine, N,N-dimethyl-3-(dibenzo(b,e)thiepin-δ11-(6H),Υ)-;
3-Dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine;
Prothiadiene

Formula: C19H21NS

Class: Therapeutics/Prescription Drugs

Spectral Data

Dothiepin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/25/2015 11:01:55 AM
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Identificators

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/b17-11-
InChI Key PHTUQLWOUWZIMZ-BOPFTXTBSA-N
Canonical SMILES
CAS 113531
Splash
Other Names 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin;
3-(6,11-Dihydrodibenzo(b,e)thiepin-11-yliden)-N,N-dimethylpropylamin;
Propylamine, N,N-dimethyl-3-(dibenzo(b,e)thiepin-δ11-(6H),Υ)-;
3-Dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine;
Prothiadiene

In Other Databases

ChEMBL CHEMBL108947
PubChem 5282426
KEGG D07872
ChemIDPlus 000113531
ChemSpider 4445580
ChEBI CHEBI:36802