3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-(trideuteriomethyl)propan-1-amine
Basic information
- CAS
136765-31-6- Standard SMILES
[2H]C([2H])([2H])N(C)CCC=C1c2ccccc2CSc2ccccc21- InChIKey
PHTUQLWOUWZIMZ-FIBGUPNXSA-N- Molecular formula
- C19H21NS
- Average molar mass
- 298.5 g/mol
Names & identifiers
- Preferred name
- 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-(trideuteriomethyl)propan-1-amine
- IUPAC
- 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-(trideuteriomethyl)propan-1-amine
- English name
- DOTHIEPIN-D3
- Molecular formula
- C19H18D3NS
- Molecular weight
- 298.46
Names & synonyms
DOTHIEPIN-D3[2H3]-DothiepinPHTUQLWOUWZIMZ-QRYZPGCSSA-N3-Dibenzo[b,e]thiepin-11(6H)-ylidene-N-Methyl-N-(Methyl-d3)-1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N-methyl-N-(methyl-d3)-
Database identifiers
- CAS
136765-31-6
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Pale Yellow Semi-Solid
- color
- Off-white to light yellow
- Stability
- Temperature Sensitive
Chemistry & industry
Applications
UsesLabelled Dothiepin (D536500). A tricyclic antidepressant.
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Related reactions
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Compound notes
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