1. Primary Information
| English name: | Dothiepin hydrochloride |
| CAS No.: | 897-15-4 |
| Molecular formula: | C19H22ClNS |
| Molecular weight: | 331.9 g/mol |
| SMILES: | CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.Cl |
| Structural class: | |
| Other identifiers: |
Dosulepin Dothiepin Dothiepin Hydrochloride Hydrochloride, Dothiepin Prothiaden |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | HPLC≥98% | 2080 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
4.2 InChI
InChI=1S/C19H21NS.ClH/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;1H/b17-11+;
4.3 InChIKey
XUPZAARQDNSRJB-SJDTYFKWSA-N
4.4 Canonical SMILES
CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.Cl
4.5 Isomeric SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
