Basic information
- CAS
41931-89-9- Standard SMILES
CS(=O)c1ccc2c(c1)C(N1CCN(CCCO)CC1)Cc1ccccc1S2.Cl.Cl- InChIKey
GCDZQNYSQYOPJX-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N2O2S2
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 488.1125759
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, dihydrochloride
- IUPAC
- 3-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;dihydrochloride
Names & synonyms
Oxyprothepin 8-sulfoxide dihydrochlorideVUFB-947241931-89-94-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 2HCl1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, dihydrochlorideRefChem:234050DTXSID309620663-{4-[8-(Methanesulfinyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
41931-89-9- PubChem CID
- 3038751
- DTXSID
DTXSID30962066
Properties
Computed structural properties
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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