Basic information
- CAS
23772-22-7- Standard SMILES
C[NH+](C)CCCC1c2ccccc2C(=O)c2ccccc2S1(=O)=O.[Cl-]- InChIKey
WVKNUTGOJLSBJY-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO3S
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.1008924
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11(6H)-one, 6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride, hydrate
- IUPAC
- dimethyl-[3-(5,5,11-trioxo-6H-benzo[c][1]benzothiepin-6-yl)propyl]azanium chloride
Names & synonyms
Dibenzo(b,e)thiepin-11(6H)-one, 6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride, hydrate6-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-one 5,5-dioxide HCl hydrate23772-22-7RefChem:337092
Database identifiers
- CAS
23772-22-7- PubChem CID
- 32088
Properties
Computed structural properties
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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