Basic information
- CAS
23772-20-5- Standard SMILES
C[NH+](C)CCCC1c2ccccc2C(O)c2ccccc2S1(=O)=O.[Cl-]- InChIKey
WWVPOYIILCJMAJ-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO3S
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1165425
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-ol, 6,11-dihydro-6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride
- IUPAC
- 3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethylazanium chloride
Names & synonyms
Dibenzo(b,e)thiepin-11-ol, 6,11-dihydro-6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride6,11-Dihydro-6-(3-(dimethylamino)propyl)dibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride6-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride23772-20-5RefChem:337113
Database identifiers
- CAS
23772-20-5- PubChem CID
- 32086
Properties
Computed structural properties
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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