Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, 5-oxide, maleate (1:1), (Z)-
Basic information
- CAS
25627-41-2- Standard SMILES
C[NH+](C)CC/C=C1/c2ccccc2CS(=O)c2ccccc21.O=C([O-])/C=C\C(=O)O- InChIKey
VZHNCPQXHYFRNO-QXGSISKLSA-N- Molecular formula
- C23H25NO5S
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.14534407
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, 5-oxide, maleate (1:1), (Z)-
- IUPAC
- dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
25627-41-2Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, 5-oxide, maleate (1:1), (Z)-RefChem:1083323cis-Prothiadene-S-oxide hydrogen maleatecis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin 5-oxide hydrogen maleate
Database identifiers
- CAS
25627-41-2- PubChem CID
- 6433932
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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