Basic information
- CAS
23737-33-9- Standard SMILES
C[NH+](C)CCC1c2ccccc2C(O)c2ccccc2S1(=O)=O.[Cl-]- InChIKey
XOOKRZLPNNWNNL-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO3S
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1008924
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-ol, 6,11-dihydro-6-(2-(dimethylamino)ethyl)-, 5,5-dioxide, hydrochloride, (+-)-
- IUPAC
- 2-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride
Names & synonyms
(+-)-6-(2-Dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride(+-)-6,11-Dihydro-6-(2-(dimethylamino)ethyl)dibenzo(b,e)thiepin-11-ol 5,5-dioxide HCl23737-33-9Dibenzo(b,e)thiepin-11-ol, 6,11-dihydro-6-(2-(dimethylamino)ethyl)-, 5,5-dioxide, hydrochloride, (+-)-RefChem:337112
Database identifiers
- CAS
23737-33-9- PubChem CID
- 32061
Properties
Computed structural properties
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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