Dibenzo[b,e]thiepin, 1-propanamine deriv.; 11-(3-Methylaminopropylidene)-6,11-dihydrodibenz[b,e]thiepine; Nordosulepin; Nordothiepin; Northiadene
Basic information
- CAS
1154-09-2- Standard SMILES
CNCCC=C1c2ccccc2CSc2ccccc21- InChIKey
FTELXJYVTOFJAI-UHFFFAOYSA-N- Molecular formula
- C18H19NS
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.12382078
Names & identifiers
- Preferred name
- Dibenzo[b,e]thiepin, 1-propanamine deriv.; 11-(3-Methylaminopropylidene)-6,11-dihydrodibenz[b,e]thiepine; Nordosulepin; Nordothiepin; Northiadene
- IUPAC
- 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methylpropan-1-amine
- English name
- northiaden
- Molecular formula
- C18H19NS
- Molecular weight
- 281.42
Names & synonyms
3-(dibenzo[b,e]thiepin-11(6H)-ylidene)-N-methylpropan-1-amine3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methylpropan-1-amineDibenzo[b,e]thiepin, 1-propanamine deriv.; 11-(3-Methylaminopropylidene)-6,11-dihydrodibenz[b,e]thiepine; Nordosulepin; Nordothiepin; NorthiadeneDosulepin DesmethylAKOS030254540NS00015494NorthiadenenorthiadenNordothiepinNordosulepinDosulepin Impurity 4Dosulepin Desmethyl Impurity
Show more names
3-Dibenzo[b,e]thiepin-11(6H)-ylidene-N-Methyl-3-Dibenzo[b,e]thiepin-11(6H)-ylidene-N-methyl-1-propanamine
Database identifiers
- CAS
1154-09-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 72 · 72-75°C
- Boiling point
- 173 °C · 173 °C(Press: 0.1 Torr)
- Density
- 1.161 · 1.161±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 10.278 · 10.278±0.10(predicted)
- form
- Solid
- color
- Pale Yellow
- FDA UNII
- 8 W20XLE56 · Z8W20XLE56
Chemistry & industry
Applications
UsesA metabolite of Dothiepin.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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