Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate
Basic information
- CAS
1252-56-8- Standard SMILES
C[NH+](C)CC/C=C1/c2ccccc2CSc2cc(Br)ccc21.O=C([O-])CCC(=O)O- InChIKey
JHRRKXBNFYDIRL-LIUCOPNQSA-N- Molecular formula
- C23H26BrNO4S
- Average molar mass
- 492.4 g/mol
- Monoisotopic mass
- 491.07659
Names & identifiers
- Preferred name
- Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate
- IUPAC
- [(3Z)-3-(3-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;4-hydroxy-4-oxobutanoate
Names & synonyms
Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate1252-56-8RefChem:10832883-Bromo-6,11-dihydro-11-(3-(dimethylamino)propylidene)dibenz(b,e)thiepin succinate
Database identifiers
- CAS
1252-56-8- PubChem CID
- 6433261
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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