Dibenz(b,e)thiepin, 6,11-dihydro-3-chloro-11-(3-(dimethylamino)propylidene)-, succinate

HCID 6433249

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Basic information

CAS: 1175-60-6
Standard SMILES: C[NH+](C)CC/C=C1/c2ccccc2CSc2cc(Cl)ccc21.O=C([O-])CCC(=O)O
InChIKey: TUBURGXQLSDVKU-LIUCOPNQSA-N
Molecular formula: C23H26ClNO4S
Average molar mass: 448 g/mol
Monoisotopic mass: 447.1271072

Names & identifiers

Preferred name: Dibenz(b,e)thiepin, 6,11-dihydro-3-chloro-11-(3-(dimethylamino)propylidene)-, succinate
IUPAC: [(3Z)-3-(3-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;4-hydroxy-4-oxobutanoate

Names & synonyms

Dibenz(b,e)thiepin, 6,11-dihydro-3-chloro-11-(3-(dimethylamino)propylidene)-, succinate1175-60-6RefChem:10832893-Chloro-6,11-dihydro-11-(3-(dimethylamino)propylidene)dibenz(b,e)thiepin succinate

Database identifiers

CAS: 1175-60-6
PubChem CID: 6433249

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 496

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